[PyMOL] select all aminoacids and not ligand

2005-07-12 Thread Andrea Spitaleri
Hi all is there any shortcut to select all aminoacid in a complex and not the ligand? something like select my, all and not "ligand" where I don't know the resn of the ligand but in my script I should be able to discern between aminoacids (ALA,VAL, etc...) and not. thanks in advance Regards andre

Re: [PyMOL] select all aminoacids and not ligand

2005-07-12 Thread Marc Bruning
in case your ligand has a different chain id than your protein, you could use that to distinguish. On Tuesday 12 July 2005 11:59, Andrea Spitaleri wrote: > Hi all > is there any shortcut to select all aminoacid in a complex and not the > ligand? something like > select my, all and not "ligand" wh

Re: [PyMOL] select all aminoacids and not ligand

2005-07-12 Thread Andrea Spitaleri
Hi, thanks. that was my first answer and it works. but in case the chain id are the same? and 2005/7/12, Marc Bruning : > in case your ligand has a different chain id than your protein, you could use > that to distinguish. > > On Tuesday 12 July 2005 11:59, Andrea Spitaleri wrote: > > Hi all > >

Re: [PyMOL] select all aminoacids and not ligand

2005-07-12 Thread Marc Bruning
you could look into the pdb file to find out what residue number your ligand has. but i guess most often proteins and ligands have different chain ids. On Tuesday 12 July 2005 12:25, Andrea Spitaleri wrote: > Hi, > thanks. that was my first answer and it works. > but in case the chain id are the

Re: [PyMOL] Linux NVidia segmentation fault

2005-07-12 Thread Yu Chen
Have you tried 6629 driver? We also had some other problems with the newest driver, so we just switched back to 6629. On Tue, 12 Jul 2005, Paolo Tosco wrote: Hi everybody, I have read in the thread about the infamous "segmentation fault" issue concerning NVidia Linux drivers and PyMOL. Warren

R: Re: [PyMOL] Linux NVidia segmentation fault

2005-07-12 Thread Paolo Tosco
Thank you very much for your answer. Indeed I started experiencing the segmentation fault with driver 6629, which is the one shipped with RHEL 3.0. That's why I decided to try newer drivers. Is your graphic board a Nvidia Quadro FX? Maybe this issue doesn't come up with any Nvidia board, but on

Re: R: Re: [PyMOL] Linux NVidia segmentation fault

2005-07-12 Thread Yu Chen
No, we don't have Quadro FX, we have 3DForce FX 5600-256. When we use the new drivers, it just sometime freeze the computers, not patically a Pymol related problem. Sorry couldn't help more, good luck. Chen On Tue, 12 Jul 2005, Paolo Tosco wrote: Thank you very much for your answer. Indeed

[PyMOL] Setting grid boundaries in APBS

2005-07-12 Thread Miguel Alejandro Pabon Sanclemente
APBS-users in PyMOL: The APBS plugin is not setting the grid boundaries correctly. Segments of the proteins I have been working on are not included in the calculations because they are outside of the grid boundaries. Even if I try to set the boundaries manually the plugin still does the calculat

[PyMOL] Crystallographer position

2005-07-12 Thread Thomas Stout
Dear Colleagues - Forgive the semi-spam, but this position will definitely involve PyMOL/python-scripting! The Structural Biology group at Exelixis in San Francisco is currently looking to hire an additional crystallographer, preferably someone with scripting and/or coding skills. Knowledge

[PyMOL] Select only lowercase or uppercase chain ID

2005-07-12 Thread Wan Kyu Kim
Dear all, I found pymol does not discriminate lower/uppercase chain identifiers. If a PDB file contain both 'G' and 'g' chains, both "select /pdb//G" and "select /pdb//g" select both chains. Is there anyway to select only one chain? best wan -- --

[PyMOL] lipophilic surface

2005-07-12 Thread Ramesh Sistla
Hi List! Is it possible to generate a molecular surface with lipophilic potentials mapped on to the surface? I guess there is nothing in pymol as yet to do this directly. Is there any work around? Best regards -- :-) Ramesh K. Sistla May the wicked become good, may the good attain peace May

[PyMOL] show two models

2005-07-12 Thread Pascal Benkert
Hi all, How can I select different models in pymol (separated by the MODEL/ENDMDL statement). They seam to be loaded (I see this message at startup: ObjectMolReadPDBStr: read MODEL 1 ObjectMolReadPDBStr: read MODEL 2) but I´m not able to show them simultaneously (e.g. from a structural alignmen