Re: [PyMOL] Installation PyMOL failure in Linux (CentOS)

2011-12-06 Thread grantaka36
Dear Thomas, Thanks for good pointing for the weird problem, which I couldn't notice at all. You do compile with -D_FORTIFY_SOURCE=2, could you remove that? I'm afraid, I know not related PyMOL itself, but I wish to know how to do that. Searching 'setup.py', 'setup2.py' or some 'Makefile*' with

Re: [PyMOL] mmView - a tool for mmCIF exploration

2011-12-06 Thread Daniel Svozil
Hi Troels, mmView is intended as a web-based viewer (and nothing more) of the textual mmCIF format, which i used by the PDB database as its archival format. mmCIF offers, with its flexible syntax, much better solution for storing biomolecular structures than the PDB format. However, mmCIF format

Re: [PyMOL] Electron Density

2011-12-06 Thread Manas Sule
Is there a difference in the sigma values assigned by pymol and coot I am able to see the density at 8 sigma in coot for the Fo-Fc map but can go to maximum at 4.5 sigma in pymol after which it disappears On Mon, Dec 5, 2011 at 11:33 PM, Roger Rowlett rrowl...@colgate.edu wrote: I

Re: [PyMOL] Electron Density

2011-12-06 Thread Thomas Holder
Hi Manas, have you tried turning the normalize_* setting off? set normalize_ccp4_maps, off set normalize_o_maps, off set normalize_grd_maps, off http://pymolwiki.org/index.php/Normalize_ccp4_maps http://pymolwiki.org/index.php/Display_CCP4_Maps#User_Notes Cheers, Thomas On 12/06/2011 03:12

Re: [PyMOL] Electron Density

2011-12-06 Thread Dirk Kostrewa
Hi Manas Sule, this is a bit more complicated: For PyMOL, you usually calculate an electron density map covering your molecule. As far as I understand PyMOL, the sigma is taken directly from your input map. For Coot, this is completely different. Coot tries to reconstruct from your input

Re: [PyMOL] H-bonds representation

2011-12-06 Thread James Starlight
Dear all :) I want to find Hbonds beetween different helices in the membrane receptor ( H bonds beetween sidechains only) I know possible way to do it wihin selection if I defined different helixes but is there any way to find almost all Hbonds between polar sidecains groups ? Could I use

Re: [PyMOL] Electrostatic calculations with ligand bound

2011-12-06 Thread Michael Lerner
Hi Andrew, The main limitation for problems like this is that you need to have parameters for the ligand. Making sure that you have good parameters is often an expert-level topic, and you're probably best served by the APBS or PDB2PQR listservs as well as the literature ... but, you can get a

Re: [PyMOL] Electrostatic calculations with ligand bound

2011-12-06 Thread Troels Emtekær Linnet
Hi Andrew. I experienced something similar for the autodock_plugin. http://www.pymolwiki.org/index.php/Autodock_plugin During my trials, I notified two things for autodock. It did not like funny atom names or Alternative configuration Could this be a case for your protein / ligand? I don't know