Dear Sir/Madam, I am facing this error while doing Minimization step on my protein.(5ULP) "Correct charges are unknown for 1 non-standard atom names in otherwise standard residues Charges of 0.0 were assigned to the unknown atoms Details in reply log No MMTK name for atom "HXT" in standard residue "VAL" " Please could you help me solve this issue Thanks & Regards Vishakha Kamble
HI Vishakha Kamble First thing is to try getting a newer version of Chimera. In Chimera 1.15 release version I can minimize 5ulp chain A with no problems -- it automatically removes an extra hydrogen from the VAL which is probably the same one causing your error. In the future if you have a Chimera error with specific data, do not e-mail here. Instead use Help... Report a Bug (in the Chimera menu) and attach the data file or a session file so that we can actually take a look at it. This bug reporting method sends information about the Chimera version and type of computer you are using, which is often needed to solve the problem. This e-mail address is for questions about programming Chimera, e.g. writing code. 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 1, 2021, at 4:57 AM, Vishakha Kamble <kamblevishakha78@gmail.com> wrote:
Dear Sir/Madam, I am facing this error while doing Minimization step on my protein.(5ULP) "Correct charges are unknown for 1 non-standard atom names in otherwise standard residues
Charges of 0.0 were assigned to the unknown atoms
Details in reply log
No MMTK name for atom "HXT" in standard residue "VAL" "
Please could you help me solve this issue Thanks & Regards Vishakha Kamble
Thank you for the clarification. On Sat, May 1, 2021, 8:33 PM Elaine Meng <meng@cgl.ucsf.edu> wrote:
HI Vishakha Kamble First thing is to try getting a newer version of Chimera. In Chimera 1.15 release version I can minimize 5ulp chain A with no problems -- it automatically removes an extra hydrogen from the VAL which is probably the same one causing your error.
In the future if you have a Chimera error with specific data, do not e-mail here. Instead use Help... Report a Bug (in the Chimera menu) and attach the data file or a session file so that we can actually take a look at it. This bug reporting method sends information about the Chimera version and type of computer you are using, which is often needed to solve the problem. This e-mail address is for questions about programming Chimera, e.g. writing code.
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 1, 2021, at 4:57 AM, Vishakha Kamble <kamblevishakha78@gmail.com> wrote:
Dear Sir/Madam, I am facing this error while doing Minimization step on my protein.(5ULP) "Correct charges are unknown for 1 non-standard atom names in otherwise standard residues
Charges of 0.0 were assigned to the unknown atoms
Details in reply log
No MMTK name for atom "HXT" in standard residue "VAL" "
Please could you help me solve this issue Thanks & Regards Vishakha Kamble
participants (2)
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Elaine Meng -
Vishakha Kamble