[PyMOL] Wizard Measurement

2010-09-04 Thread Martin Hediger
Dear All I'm trying to write a littel function that allows for a short cut to invoke the "wizard measurement". The idea is, that instead of having to open the GUI menue>Measurement or typing "wizard measurement", I would like to be able to just type "mes" and have the measurement tool-box ava

[PyMOL] Specific Expansion of selection

2010-09-04 Thread Martin Hediger
Dear All I am trying to cut out a subset of a protein structure. I am selecting an active site atom and expanding by residue with radius 12 Angstrom around that atom. Is there a way of doing the following: If the edge of the selection ends with a carbonyl of a peptide bond, keep it included. I