Re: [PyMOL] multiple occupancies

2012-03-02 Thread Thomas Holder
Hi Anasuya, your "pdbid" variable actually holds the file name (including extension), so the delete statement fails. Fix it like this: cmd.delete(pdbid.split('.')[0]) Cheers, Thomas Anasuya Dighe wrote, On 03/02/12 19:38: > Hi, > I am running this code on some pdb files: 12gs.pdb, 182l.p

[PyMOL] Reminder: CCP4 summer school at APS, in USA

2012-03-02 Thread Sanishvili, Ruslan
Dear Colleagues, This is a reminder that the deadline for applications for the 5th annual CCP4 Summer School "From data collection to structure refinement and beyond" is April 17, 2012. The school will take place from June 19 through June 26, 2012 at the Advanced Photon Source (APS) near Chicag

[PyMOL] multiple occupancies

2012-03-02 Thread Anasuya Dighe
Hi, I am running this code on some pdb files: 12gs.pdb, 182l.pdb, 183l.pdb CODE from pymol import cmd def process_line(x): pdbid,res,chain,num = x.split() cmd.load(pdbid) cmd.select("target","(resn %s and chain %s and resi %s)"%(res,chain,num)) cmd.select("zone2","(br. (target expand

Re: [PyMOL] Per-object transaprency_mode

2012-03-02 Thread Jason Vertrees
Hi Benjamin, transparency_mode is a global setting and so cannot be applied to individual objects. If you'd like to see this as a new feature, please request it: https://sourceforge.net/tracker/?group_id=4546&atid=354546. Cheers, -- Jason On Fri, Mar 2, 2012 at 9:42 AM, Benjamin Bouvier wrote

Re: [PyMOL] Segmentation fault while cmd.read_pdbstr on MacOS

2012-03-02 Thread Jason Vertrees
Hi Dominik, This looks like a bug. We're looking into it. Cheers, -- Jason On Thu, Mar 1, 2012 at 11:35 AM, Dominik G wrote: > Hi pymolers, > > I attempt to send a structure from a program to PyMol, which doesn't work. > After some time I've managed to extract the smallest data making the cras

Re: [PyMOL] what's wrong in this code.. please help!

2012-03-02 Thread Tsjerk Wassenaar
Hey Anasuya, On Fri, Mar 2, 2012 at 5:13 PM, Anasuya Dighe wrote: > What's going wrong with this code? > ___CODE___ > from pymol import cmd > > def process_line(x): >  pdbid,res,chain,num = x.split() >  cmd.load(pdbid) >  cmd.select("target","(resn %s and chain %s and resi %s)"%(res,chain

[PyMOL] what's wrong in this code.. please help!

2012-03-02 Thread Anasuya Dighe
What's going wrong with this code? ___CODE___ from pymol import cmd def process_line(x): pdbid,res,chain,num = x.split() cmd.load(pdbid) cmd.select("target","(resn %s and chain %s and resi %s)"%(res,chain,num)) cmd.select("zone2","(br. (target expand 9 and not (target expand 4.5)) and

[PyMOL] Per-object transaprency_mode

2012-03-02 Thread Benjamin Bouvier
Hi all, Can recursive transparency be set on a per-object basis when raytracing with PyMol? I'm trying the obvious (chB and chA are molecular objects): set transparency_mode, 2, chB set transparency_mode, 1, chA ... which PyMol syntaxically accepts, but does not seem to give the expected resu

Re: [PyMOL] override which python to use in MacPyMOL Executive Build 1.4

2012-03-02 Thread Thomas Holder
On 03/02/2012 11:49 AM, Troels Emtekær Linnet wrote: > How does your execution file look like? > You point to another python to execute the __init__.py file. > > You can also define PYTHONPATH or set the PYMOL_PATH > if necessary. It's MacPyMOL, so this will not work. The _cmd module is compiled i