Hi, I created my attribute file (attached) and defined by I cannot see it in the Render (by residues) attributes. I missed something? Since it was defined I don't think it has to be put in some particolar directory, or not? Thanks, Marco Dr.Marco Sette, Ph.D. Department of Chemical Sciences and Technology University of Rome, "Tor Vergata" via della Ricerca Scientifica, 00133, Rome, Italy e-mail: sette@uniroma2.it e-mail: m77it@yahoo.it Tel.: +39-0672594424 Fax: +39-0672594328 ---------------------------------------------------------------- Invito da parte dell'Ateneo: Il tuo futuro e quello della Ricerca Scientifica hanno bisogno del tuo aiuto. Dona il 5 x mille all'Universita' di Roma Tor Vergata codice fiscale: 80213750583 http://5x1000.uniroma2.it
Hi Marco, There is a problem with the residue specifications in the first column of your file. Here are the first few lines of your file: attribute: deltashift recipient: residues :4 0.29343 :5.0000 0.029195 :6.0000 0.14888 :7.0000 0.087586 :8.0000 0.058391 :9.0000 0.30934 :10.000 0.0000 Only residue 4 is assigned the deltashift attribute (value 0.29343). None of the other assignment lines do anything because :5.0000 (etc.) does not specify a residue. If you modify the assignment file to contain :5 :6 etc. instead, I think everything will work as expected! Location of the file does not matter. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On May 28, 2010, at 1:19 PM, sette@uniroma2.it wrote:
Hi, I created my attribute file (attached) and defined by I cannot see it in the Render (by residues) attributes. I missed something? Since it was defined I don't think it has to be put in some particolar directory, or not? Thanks, Marco
Hi Elaine, I solved the problem. I removed the .0000 and used a tab between the residue and the value. It was correctly written in the manual...ehm... Thanks a lot :) Marco Quoting "Elaine Meng" <meng@cgl.ucsf.edu>:
Hi Marco, There is a problem with the residue specifications in the first column of your file. Here are the first few lines of your file:
attribute: deltashift recipient: residues :4 0.29343 :5.0000 0.029195 :6.0000 0.14888 :7.0000 0.087586 :8.0000 0.058391 :9.0000 0.30934 :10.000 0.0000
Only residue 4 is assigned the deltashift attribute (value 0.29343). None of the other assignment lines do anything because :5.0000 (etc.) does not specify a residue. If you modify the assignment file to contain :5 :6 etc. instead, I think everything will work as expected! Location of the file does not matter.
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
On May 28, 2010, at 1:19 PM, sette@uniroma2.it wrote:
Hi, I created my attribute file (attached) and defined by I cannot see it in the Render (by residues) attributes. I missed something? Since it was defined I don't think it has to be put in some particolar directory, or not? Thanks, Marco
Dr.Marco Sette, Ph.D. Department of Chemical Sciences and Technology University of Rome, "Tor Vergata" via della Ricerca Scientifica, 00133, Rome, Italy e-mail: sette@uniroma2.it e-mail: m77it@yahoo.it Tel.: +39-0672594424 Fax: +39-0672594328 ---------------------------------------------------------------- Invito da parte dell'Ateneo: Il tuo futuro e quello della Ricerca Scientifica hanno bisogno del tuo aiuto. Dona il 5 x mille all'Universita' di Roma Tor Vergata codice fiscale: 80213750583 http://5x1000.uniroma2.it
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