[PyMOL] sampling from the protein data bank

2017-03-01 Thread Ahmad Abdelzaher
I'm looking for a python script to sample from the entire pdb. I want to select pdb's with a certain attribute, or rule out a certain attribute, for example membrane proteins. I also want to rule out pdb's that have metal atoms in them. I would appreciate all of your help. Sincerest regards.

[PyMOL] problem with alter chain Id

2017-03-01 Thread Gregor Hagelüken
Hi, I use a python script to copy an object, rotate it, alter its chain ID and then merge it with the original object. Here is the relevant part of my script: angle = 360.0/monomers chains = ["A", "B", "C", "D", "E", "F", "G", "H", "I", "J", "K",

Re: [PyMOL] problem with alter chain Id

2017-03-01 Thread Thomas Holder
clearing the "rank" property also works for me, then the script should not depend on retain_order anymore: currentName = "%s_%s" % (solutionPymolString, currentChain) cmd.alter(currentName, "chain='%s';rank=-1" % currentChain) However, I think there is also a problem with your script,