From: Schubert, C. [JRDUS] <CSC...@it...> - 2014-01-24 19:55:58
|
Dear All, I am trying to get the roving density features to work from a scripting level w/o invoking the Density Wizard. Setting up the following script loads fine, but does not enable roving. Is there anything else I need to define in the settings or am I stuck with using the Density Wizard? Many thanks for any pointers Carsten # Roving_test.py cmd.load("test.pdb","MyProt") cmd.zoom("polymer and chain A and resi 1") cmd.load("2fofc.ccp4",object="2FoFc_map") cmd.load("fofc.ccp4",object="FoFc_map") cmd.isomesh(name="2fofc",map="2FoFc_map",level="1.0", selection="polymer and chain A and resi 1") cmd.color("skyblue","2fofc") cmd.isomesh(name="fofc", map="FoFc_map", level="3.0", selection="polymer and chain A and resi 1") cmd.color("green","fofc") cmd.isomesh(name="neg-fofc", map="FoFc_map", level="-3.0", selection="polymer and chain A and resi 1") cmd.color("red","neg-fofc") cmd.set("roving_map1_name","2fofc") cmd.set("roving_map2_name","fofc") cmd.set("roving_map3_name","neg-fofc") cmd.set("roving_map1_level",1.0) cmd.set("roving_map2_level",3.0) cmd.set("roving_map3_level",-3.0) |