Re: [PyMOL] problem in changing object names

2012-03-21 Thread Tsjerk Wassenaar
Hi, Why can't you use set_name tun1, ..., etc? The attempt trying to change names is quite odd, and won't do what you want anyway. You could use basename=your_tag cmd.set_name(cmd.get_object_list()[0], basename+_subtag) ... and so on. Cheers, Tsjerk On Mar 21, 2012 6:56 AM, Sajeewa Pemasinghe

[PyMOL] execute a set of pml files on a set of pse files iteratively and saving without opening the Pymol GUI

2012-03-21 Thread Sajeewa Pemasinghe
Hi everyone, I have a set of (240 files) of pse files like 1.pse 2.pse . . . 240.pse I also have a set of(240 files) pml files like 1.pml 2.pml . . . 240.pml I want execute the pml files iteratively on the corresponding pse files and save the new pse files as 1new.pse,2new.pse, so on. from

Re: [PyMOL] Editing of the pdb structure

2012-03-21 Thread Tsjerk Wassenaar
Hi James, Pymol adds a TER statement at the end of each continuous piece of the protein. Cheers, Tsjerk 2012/3/21 James Starlight jmsstarli...@gmail.com: Hi Tsjerk, I'm not quite understood if pymol adds TER enty after residues wich consist of missing atoms or in the place with the missing

Re: [PyMOL] execute a set of pml files on a set of pse files iteratively and saving without opening the Pymol GUI

2012-03-21 Thread Thomas Holder
Hi Sajeewa, paste this into a python script (script.py): from pymol import cmd for i in range(1, 240+1): cmd.reinitialize() cmd.load('%d.pse' % i) cmd.do('@%d.pml' % i) cmd.sync() cmd.save('%dnew.pse' % i) Run it with PyMOL in batch mode: pymol -cqr script.py See

Re: [PyMOL] Error running Contact Map Visualizer Plugin

2012-03-21 Thread Suhaila Haji Mohd Hussin
Oh, please nevermind. I've already got it sorted. Thank you. Suhaila Date: Wed, 21 Mar 2012 06:31:40 +0100 Subject: Re: [PyMOL] Error running Contact Map Visualizer Plugin From: tsje...@gmail.com To: bell_beaut...@hotmail.com CC: pymol-users@lists.sourceforge.net Hi Suheila, What were the exact

[PyMOL] problem in running pymol in batch mode

2012-03-21 Thread Sajeewa Pemasinghe
Hi everyone, I am trying to run pymol in the batch mode from the command line using pymol -cqr script.py But I get the following errors. Could you please advice me how to prevent these errors? Traceback (most recent call last): File string, line 1, in module ImportError: No module named pymol

[PyMOL] FW: Query of running script of Contact Map Visualizer Plugin

2012-03-21 Thread Suhaila Haji Mohd Hussin
Nobody has replied this yet. I still need to know. Cheers,Suhaila. From: bell_beaut...@hotmail.com To: pymol-users@lists.sourceforge.net Subject: Query of running script of Contact Map Visualizer Plugin Date: Wed, 21 Mar 2012 00:41:20 +1200 Hello I know the plugin mentioned above (in