Re: [PyMOL] cmd equivalent of Display->Sequence On?

2008-09-23 Thread Chavas Leo
Dear Paul -- On 23 Sep 2008, at 00:05, Paul Shannon wrote: How can I turn sequence display on from a pymol script? I guess set seq_view, 1 would do. HTH Kind regards. -- Leo -- Chavas Leonard, Ph.D. @ home Research Associate Mar

Re: [PyMOL] [Apbs-users] Strange behaviour with APBS

2008-09-23 Thread Gilles Truan
Thank you Tom! Well, I can change my APBS script to remove all alternate conformations from b to d or e!!! Thank you again for pulling out the information. Gilles Thomas Stout a écrit : To follow up on one of Gilles least important questions: I was convinced that the PDB must contain structur

Re: [PyMOL] [Apbs-users] Strange behaviour with APBS

2008-09-23 Thread Gilles Truan
I think I found the problem with reading externally generated pqr files... When pymol generates by itself the pqr file, it puts it in the working directory, hence the pymol-generated.in used for apbs and the pqr file are in the same directory. In the pymol-generated.in the file name of the pqr

[PyMOL] friend with autodock on MacOSX

2008-09-23 Thread Shaffer, Hally A
Hey all, One of the other students in my lab is trying to run pymol as PyMolLX11Hybrid.app in MacOSX 10.4. He installed the AutoDock plugin in /Applications/PyMolLX11Hybrid.app/pymol/modules/pmg_tk/startup. After installing it, when he restarts the program he receives the error: Unable to ini

Re: [PyMOL] [Apbs-users] Strange behaviour with APBS

2008-09-23 Thread Nathan Baker
Hi Gilles -- I'm glad things are working now! Thanks, Nathan On Sep 23, 2008, at 4:02 AM, Gilles Truan wrote: I think I found the problem with reading externally generated pqr files... When pymol generates by itself the pqr file, it puts it in the working directory, hence the pymol-gene

[PyMOL] select ATP hetatm?

2008-09-23 Thread Paul Shannon
What command will select a HETATM of ATP? I am looking at 1ATP.pdb, in which the ATP molecule appears as shown below. I found 'select hetatm' but found no way to be more specific, in the spirit of 'select hetatm and name=ATP' Thanks! - Paul HETATM 2937 O2 PO3 E 338 18.820 3

Re: [PyMOL] select ATP hetatm?

2008-09-23 Thread gilleain torrance
"select hetatm and resname atp" or "select hetatm and r. atp" see also: "help selections" gilleain On Tue, Sep 23, 2008 at 7:18 PM, Paul Shannon wrote: > What command will select a HETATM of ATP? I am looking at 1ATP.pdb, > in which the ATP molecule appears > as shown below. > > I found 'selec