From: Shu-Hsien S. <sheu@BU.EDU> - 2003-10-08 17:59:58
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Hi, This should be a trial question though I cannot find a way of doing it. I have a simple script that looks like this: (the original commands, rather than cmd.select......) select ligand, resn XYZ select protein, ! ligand select box, protein within 8 of ligand select box, box or byres box save box as box.pdb I don't need the viewer at all and would be even more efficient if I can call the PyMol API from the shell. Or, in a python script. For example, I would like to have something like: ./pymol select_box.py thanks! |