Dear Yikan,
refmac5 knows the mode 'idealise geometry' that, as the name suggests, is
independent of an mtz-file. Would this help?
Refmac5 is easy to script, so you can apply it to a large number of PDB-files.
Best,
Tim
On Friday, June 03, 2016 08:35:14 PM ZhangYikan wrote:
> hello
>
> I want to generate a conformation pool for my RNA, so I used the EINemo to
> generate my perturbed structure. however, in my large bundle of pdb files
> from the EINemo, there are some violation in the geometry of bonds. Are
> there some useful tools(or protocols) to fix my violation?
> Thank you!
> Yikan
--
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
OFLC/102
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297
GPG Key ID = A46BEE1A
|