[PyMOL] Suppress some output

2002-07-29 Thread kkliang
Dear Pymolers, Well I asked about the possibility of supressing some output from pymol earlier. I'm so happy that I found something important. In my case, what bothered me is that I have to do a lot of selections and analyze the selected residues. There are roughly 10,000 selection for each pdb f

Re: [PyMOL] Secondary structure assignments

2002-07-29 Thread Kristian Rother
OK, heres what we've got: The DSSP program is available for Linux and Windows from http://www.cmbi.kun.nl/swift/dssp/ . I have written a Python script that parses the output of DSSP and alters the annotation in PyMOL. You just start the script, then You have a dssp command available. The s

Re: [PyMOL] Secondary structure assignments

2002-07-29 Thread Nathaniel Echols
> Ideally util.ss could become a shell that would know (from the environment?) > if dssp or similar was installed, then either run dssp and parse the output > to assign the ss, or else run the ss asignment code in the current util.ss if > no other options were available. I've basically done thi

Re: [PyMOL] Secondary structure assignments

2002-07-29 Thread Russell Poyner
Nat, You read my mind. Having just converted the output of DSSP manually to PDB records last week I was eyeing the source to util.ss wondering how to turn it into a dssp parser. Ideally util.ss could become a shell that would know (from the environment?) if dssp or similar was installed, th

[PyMOL] moving objects independently?

2002-07-29 Thread Richard Kho
Dear Pymolers, I am trying to manually superimpose a couple of structures that are simultaneously opened in Pymol. I can't figure out how to move one structure independent of the other. Is there a way to select just one object, move it with the mouse, deselect it, select the other object, mov

Re: [PyMOL] Secondary structure assignments

2002-07-29 Thread Nathaniel Echols
> Yes, please. There are some structures that have to be generated by using > symmetry operations defined in the "REMARK 350" lines in the pdb file > (example: > 1jjy.pdb). The only way (I know of, if you know a better one, please tell me) > to > do this is going to http://pqs.ebi.ac.uk where the

Re: [PyMOL] Secondary structure assignments

2002-07-29 Thread joergli
Le Sun, 28 July 2002, Nathaniel Echols a écrit > but I'm working on making it more general. I suppose since I only use > this for loading files into PyMOL, I could just write it in Python as a > PyMOL module. . . would that be useful to anyone else? Yes, please. There are some structures that h

Re: [PyMOL] Secondary structure assignments

2002-07-29 Thread joergli
Le Sun, 28 July 2002, Nathaniel Echols a écrit > but I'm working on making it more general. I suppose since I only use > this for loading files into PyMOL, I could just write it in Python as a > PyMOL module. . . would that be useful to anyone else? Yes, please. There are some structures that h