Hi all,
Is there a direct way to load a gromacs structure file (.gro) in PyMOL? I
know it's simple to convert them to pdb using editconf, but I want to load
gro files directly (as you can in vmd) because they permit higher max. atom
and residue numbers (100K vs. 10K for pdb) and permit longer resi
Thats wonderful, thanks a lot.
Martin
Am 15.08.11 09:25, schrieb Thomas Holder:
> Hi Martin,
>
> there are for sure several ways to achieve this, one might be using
> the "pop" command (there is no PyMOLWiki page, but "help pop" gives a
> quick example how to use it).
>
> fetch 2xwu, async=
Hi Martin,
there are for sure several ways to achieve this, one might be using the
"pop" command (there is no PyMOLWiki page, but "help pop" gives a quick
example how to use it).
fetch 2xwu, async=0
select _justca, byca 2xwu
python
while cmd.pop("_tmp", "_justca"):
cmd.iterate("_tmp", "sto
Dear List
I was wondering if there could be a way of having every residue of a
protein structure being saved to a separate file. How could this be done?
I believe the 'iterate' method might be useful in combination with the
'byres' identifier, but I havent figured out how to combine them in the
