Re: [PyMOL] Secondary structure assignments

[<jo...@al...>]

Le Sun, 28 July 2002, Nathaniel Echols a =E9crit

<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 have to be generated by using
symmetry operations defined in the "REMARK 350" lines in the pdb file (exam=
ple:
1jjy.pdb). The only way (I know of, if you know a better one, please tell m=
e) to
do this is going to http://pqs.ebi.ac.uk where the complete structure is
generated for you. However, the caveat is: This service removes the seconda=
ry
structure information, and up to now I have manually copy-pasted it into th=
e new
pdb file (Annoying work, really).

> However, PyMOL's built-in commands end up being much easier to use... I
> wish I'd realized that before I wrote my parser.

Hehe, will have to learn them,...
joerg
=0D
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