[PyMOL] Residue-residue contacts from PDB

2014-09-07 Thread bhumika arora
Dear Pymol users, I wish to know how to calculate residue-residue contacts from a PDB file. Where, contact definition is : two residues are considered to be in contact if the minimal distance of their side chain or backbone heavy atoms is < 5.5A ˚ . Specifically, I want to calculate inter-helical

[PyMOL] attribute error

2014-09-07 Thread Hena Dutta
Dear Pymol users, I am getting two problems with pymol at this moment. After I measure a distance between two atoms, the dashed line with label displayed. Then I was trying to change the color of the dashed line using the color menu at the last column and it did not work. It is showing 'attribute

Re: [PyMOL] Access to pymol commands from the terminal

2014-09-07 Thread James Starlight
Thomas,thanks for help- I'll try to test your script! Jed, many thanks too! if I understood correctly align.profit should contain thefollowing lines: # using ProFIT to align the model to 2hi4 open $PROFIT, "> align.profit" or die "Cannot open file align.profit\n"; print $PROFIT "ATOMS CA