May 2022 - Chimera-users - RBVI Mailing Lists

Set scale factors from displayed contours?
by Oliver Clarke 17 May '22

17 May '22

Hi, When combining maps using vop maximum (or volume maximum in chimerax), we often want to adjust the scale factors of the maps such that the overlapping bits of two aligned maps are visually on the same scale. It is possible to calculate the appropriate scale factors from the displayed thresholds, but this becomes a little time consuming when combining many maps. Would it be possible to add a flag, something like "get scalefactor from display thresholds" that would take care of this automatically? Cheers Oli

3 4

Assigning nucleotide representation to non-canonical nucleotides
by Jérôme Rihon 17 May '22

17 May '22

Dear I was wondering if there is a way to represent non-canonical (otherwise known as xenobiotic) nucleic acids through UCSF Chimera (specifically, not ChimeraX .. haven't made the jump yet). I've looked through your documentation on the `nucleotides` section but was not able to find something along those lines. My PI told me it was possible, but I can't seem to find it. My apologies if I should be looking for this function elsewhere, but I thought it'd be easier to just ask. Many thanks in advance! Kind regards, Met vriendelijke groeten, Cordialement, ______________________ Rihon Jérôme jerome.rihon(a)kuleuven.be | +32 16 32 53 57 PhD researcher @Rega Institute for Medical Research | Laboratory of Medicinal Chemistry | Computational Research Herestraat 49 - box 1041, 3000 Leuven

3 4

Making a movie from map series while keeping map's colors
by Michal Arie Shmuelov 16 May '22

16 May '22

Hi everyone, I have 20 maps (from 3D variability analysis) that I open as series in chimeraX. I'm coloring the map series using the command "color zone #X near #X distance X" (coloring the map according to pdb model). Next I'm trying to make a movie of this map series while retaining the map colors. For some reason when the morph/ vseries starts to run the colors disappear. Can someone help me to solve this problem? What are the commands that I should write? Thanks, Michal

2 1

question Help
by Firat KURT 16 May '22

16 May '22

*Hi, * *I have several problems regarding running some features of and registration of chimera. * *Firstly, I am not able to do registration. It keeps giving the error message below: * Error reading 1yti: Error during PDB fetch: [Errno socket error] [Errno 10054] An existing connection was forcibly closed by the remote host Model 0 (AT4G26590_1_ATOPT5.pdb) appears to be a protein without secondary structure assignments. Automatically computing assignments using 'ksdssp' and parameter values: energy cutoff -0.5 minimum helix length 3 minimum strand length 3 Use command 'help ksdssp' for more information. Traceback from web service request (connection setup): Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 11, in __init__ self._setup(serviceName, opalURL, sessionData) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 50, in _setup self.sudsClient = Client(self.serviceURL + "?wsdl", **kw) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\client.py", line 115, in __init__ self.wsdl = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 150, in open d = self.fn(url, self.options) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\wsdl.py", line 136, in __init__ d = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 74, in open d = self.download(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 100, in download return sax.parse(string=content) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\sax\parser.py", line 133, in parse sax.parse(source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 111, in parse xmlreader.IncrementalParser.parse(self, source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\xmlreader.py", line 123, in parse self.feed(buffer) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 224, in feed self._err_handler.fatalError(exc) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\handler.py", line 38, in fatalError raise exception SAXParseException: <unknown>:76:2: mismatched tag Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Traceback from Blastp request: Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\blastpdb\ParserBlastP.py", line 362, in _initBlast self.opal = OpalService(self.ServiceName) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 21, in __init__ raise NonChimeraError("Web service appears " NonChimeraError: Web service appears to be down. See Reply Log for more details. Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Blast web service appears to be down. See Reply Log for more details. Traceback from web service request (connection setup): Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 11, in __init__ self._setup(serviceName, opalURL, sessionData) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 50, in _setup self.sudsClient = Client(self.serviceURL + "?wsdl", **kw) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\client.py", line 115, in __init__ self.wsdl = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 150, in open d = self.fn(url, self.options) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\wsdl.py", line 136, in __init__ d = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 74, in open d = self.download(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 100, in download return sax.parse(string=content) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\sax\parser.py", line 133, in parse sax.parse(source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 111, in parse xmlreader.IncrementalParser.parse(self, source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\xmlreader.py", line 123, in parse self.feed(buffer) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 224, in feed self._err_handler.fatalError(exc) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\handler.py", line 38, in fatalError raise exception SAXParseException: <unknown>:76:2: mismatched tag Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Traceback from Blastp request: Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\blastpdb\ParserBlastP.py", line 362, in _initBlast self.opal = OpalService(self.ServiceName) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 21, in __init__ raise NonChimeraError("Web service appears " NonChimeraError: Web service appears to be down. See Reply Log for more details. Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Blast web service appears to be down. See Reply Log for more details. error Exception in Tk callback Function: <bound method BugReportGUI.Submit of <BugReport.BugReportGUI.BugReportGUI object at 0x000000001A1CAFD0>> (type: <type 'instancemethod'>) Module: <module 'BugReport.BugReportGUI' from 'C:\Program Files\Chimera 1.16\share\BugReport\BugReportGUI.pyc'> (line: 348) Args: () Traceback (innermost last): File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\Pmw\Pmw_1_3_3\lib\PmwBase.py", line 1747, in __call__ return apply(self.func, args) File "C:\Program Files\Chimera 1.16\share\BugReport\BugReportGUI.py", line 426, in Submit BUG_SELECTOR, fields) File "C:\Program Files\Chimera 1.16\share\CGLutil\multipart.py", line 33, in post_multipart_formdata retcode, retmsg, headers = h.getreply() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1196, in getreply response = self._conn.getresponse() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1121, in getresponse response.begin() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 438, in begin version, status, reason = self._read_status() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 394, in _read_status line = self.fp.readline(_MAXLINE + 1) File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) error: [Errno 10054] An existing connection was forcibly closed by the remote host error: [Errno 10054] An existing connection was forcibly closed by the remote host File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) See reply log for Python traceback. IOError Exception in Tk callback Function: <function command at 0x00000000151E8898> (type: <type 'function'>) Module: <module 'chimera.baseDialog' from 'C:\Program Files\Chimera 1.16\share\chimera\baseDialog.pyc'> (line: 447) Args: () Traceback (innermost last): File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\Pmw\Pmw_1_3_3\lib\PmwBase.py", line 1747, in __call__ return apply(self.func, args) File "C:\Program Files\Chimera 1.16\share\chimera\baseDialog.py", line 449, in command getattr(s, buttonFuncName(txt))() File "C:\Program Files\Chimera 1.16\share\chimera\register.py", line 294, in Register file = urllib.urlopen(regURL, params) File "C:\Program Files\Chimera 1.16\bin\lib\urllib.py", line 89, in urlopen return opener.open(url, data) File "C:\Program Files\Chimera 1.16\bin\lib\urllib.py", line 215, in open return getattr(self, name)(url, data) File "C:\Program Files\Chimera 1.16\bin\lib\urllib.py", line 351, in open_http errcode, errmsg, headers = h.getreply() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1196, in getreply response = self._conn.getresponse() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1121, in getresponse response.begin() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 438, in begin version, status, reason = self._read_status() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 394, in _read_status line = self.fp.readline(_MAXLINE + 1) File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) IOError: [Errno socket error] [Errno 10054] An existing connection was forcibly closed by the remote host IOError: [Errno socket error] [Errno 10054] An existing connection was forcibly closed by the remote host File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) See reply log for Python traceback. *Secondly, when I try to model a sequence using modeller, I am having error message in first step. When I select "Tools>sequence>sequence>balst protein" and paste the sequence of interest to the respective area, I got the error message below :* Error reading 1yti: Error during PDB fetch: [Errno socket error] [Errno 10054] An existing connection was forcibly closed by the remote host Model 0 (AT4G26590_1_ATOPT5.pdb) appears to be a protein without secondary structure assignments. Automatically computing assignments using 'ksdssp' and parameter values: energy cutoff -0.5 minimum helix length 3 minimum strand length 3 Use command 'help ksdssp' for more information. Traceback from web service request (connection setup): Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 11, in __init__ self._setup(serviceName, opalURL, sessionData) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 50, in _setup self.sudsClient = Client(self.serviceURL + "?wsdl", **kw) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\client.py", line 115, in __init__ self.wsdl = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 150, in open d = self.fn(url, self.options) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\wsdl.py", line 136, in __init__ d = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 74, in open d = self.download(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 100, in download return sax.parse(string=content) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\sax\parser.py", line 133, in parse sax.parse(source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 111, in parse xmlreader.IncrementalParser.parse(self, source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\xmlreader.py", line 123, in parse self.feed(buffer) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 224, in feed self._err_handler.fatalError(exc) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\handler.py", line 38, in fatalError raise exception SAXParseException: <unknown>:76:2: mismatched tag Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Traceback from Blastp request: Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\blastpdb\ParserBlastP.py", line 362, in _initBlast self.opal = OpalService(self.ServiceName) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 21, in __init__ raise NonChimeraError("Web service appears " NonChimeraError: Web service appears to be down. See Reply Log for more details. Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Blast web service appears to be down. See Reply Log for more details. Traceback from web service request (connection setup): Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 11, in __init__ self._setup(serviceName, opalURL, sessionData) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 50, in _setup self.sudsClient = Client(self.serviceURL + "?wsdl", **kw) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\client.py", line 115, in __init__ self.wsdl = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 150, in open d = self.fn(url, self.options) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\wsdl.py", line 136, in __init__ d = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 74, in open d = self.download(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 100, in download return sax.parse(string=content) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\sax\parser.py", line 133, in parse sax.parse(source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 111, in parse xmlreader.IncrementalParser.parse(self, source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\xmlreader.py", line 123, in parse self.feed(buffer) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 224, in feed self._err_handler.fatalError(exc) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\handler.py", line 38, in fatalError raise exception SAXParseException: <unknown>:76:2: mismatched tag Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Traceback from Blastp request: Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\blastpdb\ParserBlastP.py", line 362, in _initBlast self.opal = OpalService(self.ServiceName) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 21, in __init__ raise NonChimeraError("Web service appears " NonChimeraError: Web service appears to be down. See Reply Log for more details. Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Blast web service appears to be down. See Reply Log for more details. error Exception in Tk callback Function: <bound method BugReportGUI.Submit of <BugReport.BugReportGUI.BugReportGUI object at 0x000000001A1CAFD0>> (type: <type 'instancemethod'>) Module: <module 'BugReport.BugReportGUI' from 'C:\Program Files\Chimera 1.16\share\BugReport\BugReportGUI.pyc'> (line: 348) Args: () Traceback (innermost last): File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\Pmw\Pmw_1_3_3\lib\PmwBase.py", line 1747, in __call__ return apply(self.func, args) File "C:\Program Files\Chimera 1.16\share\BugReport\BugReportGUI.py", line 426, in Submit BUG_SELECTOR, fields) File "C:\Program Files\Chimera 1.16\share\CGLutil\multipart.py", line 33, in post_multipart_formdata retcode, retmsg, headers = h.getreply() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1196, in getreply response = self._conn.getresponse() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1121, in getresponse response.begin() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 438, in begin version, status, reason = self._read_status() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 394, in _read_status line = self.fp.readline(_MAXLINE + 1) File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) error: [Errno 10054] An existing connection was forcibly closed by the remote host error: [Errno 10054] An existing connection was forcibly closed by the remote host File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) See reply log for Python traceback. IOError Exception in Tk callback Function: <function command at 0x00000000151E8898> (type: <type 'function'>) Module: <module 'chimera.baseDialog' from 'C:\Program Files\Chimera 1.16\share\chimera\baseDialog.pyc'> (line: 447) Args: () Traceback (innermost last): File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\Pmw\Pmw_1_3_3\lib\PmwBase.py", line 1747, in __call__ return apply(self.func, args) File "C:\Program Files\Chimera 1.16\share\chimera\baseDialog.py", line 449, in command getattr(s, buttonFuncName(txt))() File "C:\Program Files\Chimera 1.16\share\chimera\register.py", line 294, in Register file = urllib.urlopen(regURL, params) File "C:\Program Files\Chimera 1.16\bin\lib\urllib.py", line 89, in urlopen return opener.open(url, data) File "C:\Program Files\Chimera 1.16\bin\lib\urllib.py", line 215, in open return getattr(self, name)(url, data) File "C:\Program Files\Chimera 1.16\bin\lib\urllib.py", line 351, in open_http errcode, errmsg, headers = h.getreply() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1196, in getreply response = self._conn.getresponse() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 1121, in getresponse response.begin() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 438, in begin version, status, reason = self._read_status() File "C:\Program Files\Chimera 1.16\bin\lib\httplib.py", line 394, in _read_status line = self.fp.readline(_MAXLINE + 1) File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) IOError: [Errno socket error] [Errno 10054] An existing connection was forcibly closed by the remote host IOError: [Errno socket error] [Errno 10054] An existing connection was forcibly closed by the remote host File "C:\Program Files\Chimera 1.16\bin\lib\socket.py", line 480, in readline data = self._sock.recv(self._rbufsize) See reply log for Python traceback. Traceback from web service request (connection setup): Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 11, in __init__ self._setup(serviceName, opalURL, sessionData) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 50, in _setup self.sudsClient = Client(self.serviceURL + "?wsdl", **kw) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\client.py", line 115, in __init__ self.wsdl = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 150, in open d = self.fn(url, self.options) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\wsdl.py", line 136, in __init__ d = reader.open(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 74, in open d = self.download(url) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\reader.py", line 100, in download return sax.parse(string=content) File "C:\Program Files\Chimera 1.16\bin\lib\site-packages\suds_jurko-0.6-py2.7.egg\suds\sax\parser.py", line 133, in parse sax.parse(source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 111, in parse xmlreader.IncrementalParser.parse(self, source) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\xmlreader.py", line 123, in parse self.feed(buffer) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\expatreader.py", line 224, in feed self._err_handler.fatalError(exc) File "C:\Program Files\Chimera 1.16\bin\lib\xml\sax\handler.py", line 38, in fatalError raise exception SAXParseException: <unknown>:76:2: mismatched tag Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Traceback from Blastp request: Traceback (most recent call last): File "C:\Program Files\Chimera 1.16\share\blastpdb\ParserBlastP.py", line 362, in _initBlast self.opal = OpalService(self.ServiceName) File "C:\Program Files\Chimera 1.16\share\WebServices\opal_client.py", line 21, in __init__ raise NonChimeraError("Web service appears " NonChimeraError: Web service appears to be down. See Reply Log for more details. Typically, if you get a TypeError, it's a problem on the remote server and it should be fixed shortly. If you get a different error or get TypeError consistently for more than a day, please report the problem using the Report a Bug... entry in the Help menu. Please include the traceback printed above as part of the problem description. Blast web service appears to be down. See Reply Log for more details. *I also attached the image of my input. Would you help me with this please? How can I fix these problems??* *My operating system is Windows 10 64X and chimera version is 1.16* *Regards, * [image: image.png] -- İyi çalışmalar dilerim, Doç. Dr. Fırat Kurt Bitkisel Üretim ve Teknolojileri Bölümü Uygulamalı Bilimler Fakültesi Muş Alparslan Üniversitesi Muş-Türkiye Tel :+90 436 249 10 83 Dahili: 2686 Fax :+90 436 231 22 01 ---------------------------------------------- Fırat Kurt, Ph. D. Associate Prof. of Plant Biotechnology Department of Plant Production and Technologies Faculty of Applied Sciences Mus Alparslan University Mus-Turkey Phone :+90 436 249 10 83 Ext. :2036 Fax :+90 436 231 22 01 www.alparslan.edu.tr

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Can't open web file
by Emma Belcher 13 May '22

13 May '22

Hi there, I am a complete beginner with Chimera so apologies for the very basic question. I am trying to open a Consurf output which is a .chimerax file. I have downloaded Chimera to do this and have not changed any default settings (running MacOS Monterey 12.2.1). When I try to open the file (either by clicking “Open with Chimera” on the file or opening Chimera and going File > Open… and selecting the file), it comes up with the following error message: Error reading consurf_1652376787.chimerax: Couldn't find url 'https://consurf.tau.ac.il/results/1652376787/msa_file_fasta.aln.clustalw': [Errno socket error] [SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed (_ssl.c:661) I have no idea what this means or how to fix it, so would appreciate any tips! Thank you, Emma Belcher

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Save reply log through chimera command line
by Reeki Emrizal 13 May '22

13 May '22

Hi I working on an automated python script to calculate the rmsd between two molecules using rmsd command. I'm using --nogui when running the script. The standard output did not show the rmsd value. When using the chimera gui, I noticed that the rmsd value is shown in the reply log. Is there a way I could save the content of the reply log through python script? I found previous post with similar issue that use: from chimera.tkgui import saveReplyLog saveReplyLog(path) The solution does not work for me though as the text file is empty even though there is content in the reply log. Kind Regards

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RMSF calculations
by Reza Khayat 12 May '22

12 May '22

Hi, I'm trying to write a script to perform the procedure described here: https://www.cgl.ucsf.edu/pipermail/chimera-users/2017-March/013247.html Can someone help with the command line syntax for associating a structure with a defined sequence? Thanks. Best wishes, Reza Reza Khayat, PhD Associate Professor City College of New York Department of Chemistry and Biochemistry New York, NY 10031

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Re: [Chimera-users] [chimerax-users] interface plot
by Elaine Meng 12 May '22

12 May '22

Hi Pranav, If you mean that you wanted a list of the interface residues, you can use the "interfaces" network diagram edge context menu to select the residues, then list them in the Log with "info residues sel" ... and either cut-n-paste from the Log to text file or use "log save" to save it as an HTML file. The "info" command should really allow saving a text file directly, but it doesn't do that yet. I believe we have an open ticket to fix that omission. In the chain-chain network diagram, e.g. when the mouse cursor is over the edge representing the chain B-C interface, context-menu choices include Select Contact Residues of B and C Select Contact Residues of B with C Select Contact Residues of C with B <https://rbvi.ucsf.edu/chimerax/docs/user/commands/interfaces.html#diagram> Or if you get a new daily build, another way to select the residues is to use menu: Select... Contacts, the Chains section of the resulting dialog: <https://rbvi.ucsf.edu/chimerax/docs/user/selectcontacts.html> Then use "info residues sel" and possibly "log save" as mentioned above. <https://rbvi.ucsf.edu/chimerax/docs/user/commands/info.html#residues> <https://rbvi.ucsf.edu/chimerax/docs/user/commands/log.html#save> Alternatively, you could use "measure buriedarea" specifying the two chains and "list true", which also reports each residue's buried area. (thus avoiding having to select and use "info") <https://rbvi.ucsf.edu/chimerax/docs/user/commands/measure.html#buriedarea> Example: measure buriedarea (/A&protein) with (/B&protein) list true I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco > On May 12, 2022, at 9:06 AM, Pranav Shah <p.shah.lab(a)gmail.com> wrote: > > Indeed! Although, as a suggestion, would it be possible to highlight > in the description that in order for the plot to inherit residue > colors, one needs to invoke the plot _after_ the residues have been > identified and colored? Also, could I save the output of the analysis > to a text file? > Best, > Pranav > -- > Pranav Shah > Postdoctoral Research Fellow. > > Division of Structural Biology, > Wellcome Trust Centre for Human Genetics, > University of Oxford, > Roosevelt Drive, Oxford OX3 7BN, > UK > > On Thu, May 12, 2022 at 4:53 PM Elaine Meng <meng(a)cgl.ucsf.edu> wrote: >> >> haha, glad you like it!! >> >> Best, >> Elaine >> >>> On May 12, 2022, at 8:27 AM, Pranav Shah via ChimeraX-users <chimerax-users(a)cgl.ucsf.edu> wrote: >>> >>> <3 >>> <3 >>> <3 >>> <3 >>> <3 >>> >>> Best, >>> Pranav >>> -- >>> Pranav Shah >>> Postdoctoral Research Fellow. >>> >>> Division of Structural Biology, >>> Wellcome Trust Centre for Human Genetics, >>> University of Oxford, >>> Roosevelt Drive, Oxford OX3 7BN, >>> UK >>> <image.png>_______________________________________________ >>> ChimeraX-users mailing list >>> ChimeraX-users(a)cgl.ucsf.edu >>> Manage subscription: >>> https://www.rbvi.ucsf.edu/mailman/listinfo/chimerax-users >>

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use of the program UCSF Chimera
by GABRIELLE LUPETI DE CENA 12 May '22

12 May '22

Goodnight! My name is Gabrielle, I am a Master's student at UNIFESP (Federal University of São Paulo), SP, Brazil. I'm using UCSF Chimera to analyze the secondary structure of some peptides that I'm studying. When I load the .pdb file in the program, it generates a different structure than the one desired. In the examples below, we have two structures alpha helix and random coil, but the images generated are different and I don't understand why. Could you help me, explaining what is happening, or what I should do to have the image as in the first figure (NATTP_05 chimera). Thanks -- ---- A Universidade Federal de São Paulo segue a política de e-mail Institucional disponível em https://sti.unifesp.br/documentos/termos-de-uso-do-email <https://sti.unifesp.br/documentos/termos-de-uso-do-email> <https://sei.unifesp.br/sei/publicacoes/controlador_publicacoes.php?acao=pub…>

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crystal contacts
by Meital Bachar 12 May '22

12 May '22

Hello, my name is Meital and I am a Ph.D. student at the school of chemistry at Tel-Aviv university. i am trying to identify the crystal contacts of a protein that I am studying. and I was wondering if it is possible to get an output for the calculated crystal contacts in a way that the actual residues are listed. appreciate a lot your response. Meital

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Chimera-users May 2022