Just for completeness, there is actually an extra function for this:
(define *additional-solvent-ligands* '())
which can be added to the .coot file.
B
On 14/02/2013 17:10, Debreczeni, Judit wrote:
Yes, it can be added to the .coot file like this:
(append! *solvent-ligand-list* (list TRS))
or like this for multiple molecules:
(append! *solvent-ligand-list* (list TRS XXX YYY))
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-Original Message-
From: Mailing list for users of COOT Crystallographic Software
[mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Ulrich Gohlke
Sent: 14 February 2013 10:48
To: COOT@JISCMAIL.AC.UK
Subject: [COOT] Add other solvent molecules setting
Dear crystalleagues,
in Extensions - Modelling - Add Other Solvent Molecules..., is there
a way to add common compounds such as TRS to the pre-selected molecules
permanently, i.e. one doesn't have to Add a new Residue Type every
time Coot is started? Can this be added to the .coot file or something?
Cheers,
Uli
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dr ulrich gohlke
staff scientist - macromolecular structure and interaction
max-delbrück-center for molecular medicine (mdc)
+49 30 9406 - 2725 (w)
+49 30 9406 - 2548 (fax)
ulrich.goh...@mdc-berlin.de
http://www.mdc-
berlin.de/en/research/research_teams/macromolecular_structure_and_inter
action/
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Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487651
fax: (+46) 08-327626
email: bernhard.lohk...@ki.se
