Re: [PyMOL] Polar Contacts printed to text file.

2011-06-24 Thread Thomas Holder
Hi Amanda, I am using the command: cmd.dist("interest_polar_conts","exp_interest","exp_interest",quiet=1,mode=2,label=1,reset=1);cmd.enable("interest_polar_conts") to find the polar contacts. This command creates an object in the panel but I cannot figure out how to print the information I am

[PyMOL] Polar Contacts printed to text file.

2011-06-23 Thread Amanda C
Hello All, I am attempting to write a script that take a single residue of interest in a protein and then creates a selection that is all residues within 4 Angstroms of that residue. Then I would like to find the polar contacts within that new expanded selection and print out the pair of resid