Re: [PyMOL] script with arguments.

2014-02-04 Thread Jordan Willis
Oh, I see what your saying. This is a python question. from sys import argv c_arg1 = argv[1] c_arg2 = argv[2] from pymol import cmd, stored def align_heme(arg1, arg2 ): cmd.load(arg1) cmd.load(arg2) cmd align(arg1,arg2) #cmd.create(obj1, arg1) #There is no need

[PyMOL] script with arguments.

2014-02-04 Thread Yarrow Madrona
Hello, I am making a script that loads in two molecules as arguments in the command line. I want to then align these molecules and make a pretty picture of the molecules that were input as arguments in the comand line but I am not sure how to name them as objects. I don't know how to select the ne

[PyMOL] PyMOL on Coursera

2014-02-04 Thread Jason Vertrees
Greetings, I am happy to report that PyMOL will be used in a structural biolnformatics lab of an upcoming Coursera course, Bioinformatic Methods 2, taught by Nicholas Provart of the University of Toronto. The enrollment for these courses can typically be in the tens of thousands or more. If you wo

Re: [PyMOL] arbitrary distance label for atom pair

2014-02-04 Thread Jason Vertrees
Richard, The PyMOL team was just discussing this a few days back. Sadly, there is no way to do this using standard labels. If you have Incentive PyMOL v1.7 you can use the new callout command (http://pymol.org/dsc/dokuwiki/doku.php?id=command:callout). Otherwise you can use the pseudoatom (http:/

[PyMOL] arbitrary distance label for atom pair

2014-02-04 Thread Richard Smith
Hi, Is there an easy way to change the label on a distance object to some arbitrary string? I would like a line connecting two atoms with an arbitrary label at the midpoint between the two atoms. for example: #make atom pair selection distance d, (id 3651, id 3691) # actual distance = 2.00 #rep

Re: [PyMOL] ccp4 question

2014-02-04 Thread Robert Campbell
Dear Stefan, On Tue, 2014-02-04 14:44 EST, Stefan Ivanov wrote: > Dear Pymolers, > > I tried to run ncont on a pdb structure and got a .ncont file as output, > but the only thing the file contains is an error message (see below). I > tried copying default.def into the working directory, but c

[PyMOL] ccp4 question

2014-02-04 Thread Stefan Ivanov
Dear Pymolers, I tried to run ncont on a pdb structure and got a .ncont file as output, but the only thing the file contains is an error message (see below). I tried copying default.def into the working directory, but couldn't get the darn thing to work. If someone can help I'd appreciate it.