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"))
--
AstraZeneca UK Limited is a company incorporated in England and Wales with
registered number: 03674842 and a registered office at 2 Kingdom Street,
London, W2 6BD.
Confidentiality Notice: This message is private and may contain confidential,
proprietary and legally privileged information. If you have received this
message in error, please notify us and remove it from your system and note that
you must not copy, distribute or take any action in reliance on it. Any
unauthorised use or disclosure of the contents of this message is not permitted
and may be unlawful.
Disclaimer: Email messages may be subject to delays, interception, non-delivery
and unauthorised alterations. Therefore, information expressed in this message
is not given or endorsed by AstraZeneca UK Limited unless otherwise notified by
an authorised representative independent of this message. No contractual
relationship is created by this message by any person unless specifically
indicated by agreement in writing other than email.
Monitoring: AstraZeneca UK Limited may monitor email traffic data and content
for the purposes of the prevention and detection of crime, ensuring the
security of our computer systems and checking Compliance with our Code of
Conduct and Policies.
-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
---
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/
--
***
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