Le Sun, 28 July 2002, Nathaniel Echols a écrit
snip
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
Le Sun, 28 July 2002, Nathaniel Echols a écrit
snip
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
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
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,
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 this,
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 object
command available.
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,
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
