[PyMOL] Verify PDB format

2012-06-27 Thread Martin Hediger
Dear PyMOL users Does anybody know a script to verify that a file contains valid a valid PDB formatted structure? The file extension alone obviously does not provide sufficient validation. Thanks for any feedback. Martin

[PyMOL] O1P versus OP1

2012-06-27 Thread Pascal Auffinger
Hi, What is the current status of Pymol with respect to O1P or OP1 atom labels in nucleic acid ? The current PDB convention is OP1 and OP2. Is there an option in pymol to save the coordinates with this convention ? Thanks, Pascal - Pascal Auffinger IBMC/CNRS 15 rue René Descartes 67084

Re: [PyMOL] Verify PDB format

2012-06-27 Thread Joel Tyndall
Hi Martin, I might be missing something but a little more information might help as to what you want to do. agreed, a file extension can be changed to anything but viewing the text file should tell you the type (of coordinate file). If you are doing this in batch mode then I guess a script

Re: [PyMOL] Visualisation of protein-ligand interactions in pymol

2012-06-27 Thread James Starlight
I've obtained accademical licence on LigProt and I found that this softwatre is most handfull in the 2d analysis of protein-ligand interactions. Is it possible to integrate it into pymol what have been done in case of Pose view ? ) By the way does anybody know any another intresting software or