[PyMOL] PyMOL performance improvement

2014-11-06 Thread Annalisa Arcella
Hi All, I have installed PyMol by terminal sudo apt-get install pymol on my Ubuntu14.04 but it is very slow. Please can you tell me if it can be supported by my PC? Memory 7.7 GiB Processor Intel Core i5CPU 650@ 3.20GHz X 4 Graphics Gallium 0.4 on NV86 OS-Type 64-bit And here is what is written

[PyMOL] Pymol quits in batch mode

2014-11-06 Thread V.V.
Hi Pymolers, I have some Python script that I would like to run on Pymol in the batch mode. To do this, I have written a "startup.py" script which I call from Python. The script is supposed to launch Pymol and run it in the batch mode with the "work.py" script. However, once I execute it, Pymol qu

Re: [PyMOL] select state not working

2014-11-06 Thread Spencer Bliven
One possible reason for this behavior would be code that assumes atom IDs are unique. In fact, both the ID and the state are required to uniquely identify an atom. This would be consistent with some other problems I've observed when working with multi-state objects, such as the fact that cartoon re

Re: [PyMOL] select state not working

2014-11-06 Thread Spencer Bliven
Thanks for the response, David! You can fetch biological assemblies from the PDB using `fetch PDBID, type=pdb1` (or the PDB Loader Service plugin). This gives you the proper oligomeric state, rather than just the asymmetric unit. However, since it can potentially have chains from multiple asymmetr

[PyMOL] ligand binding site visualisation

2014-11-06 Thread James Starlight
Dear Pymol users! Typically when I'm looking at the ligand binding sites (present->show of the receptor-ligand.pdb complexes all receptors non-canonical residues or the different titrable forms of the standard ones (e.g HIP-protonated HIS or ASH- protonated ASN) are recognized as the ligands as we