The Molecular Graphics Laboratory Forum

Hi,
I'm looking for a script (preferably python but unix is also okay) that can specify which of the poses in the docking log file (.dlg) satisfy certain geometric constraints. That is, which of the poses have certain ligand atoms within a certain distance (or distance range) from certain protein atoms. Both the identity of the atoms and distance ranges are specified by the user. The output of such a script would be a plain list of pose numbers.

If there is a software or web server that does the same, that's also fine.

I appreciate your help.

Amit