Adding metal ions will work properly through the "Get Monomer" dialog in
0.7.2. Until Coot is updated (either manually or through a new CCP4
release) this is a reasonable workaround.
_______________________________________
Roger S. Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346
tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: [email protected]
On 10/24/2014 10:02 AM, Pamela J Focia wrote:
Until the Coot bug is worked out, why not simply change the water
molecule you want to be an ion into the atom you want it to be in the
pdb file with a text editor?
-=pam
On Oct 24, 2014, at 5:09 AM, Tim Gruene <[email protected]
<mailto:[email protected]>> wrote:
Dear Jeorge,
from the second last thread, I guess you are using Coot 0.7.2?
Apparently this is a bug that you get around by updating Coot.
Regards,
Tim
On 10/24/2014 10:13 AM, jeorgemarley thomas wrote:
Hi All,
First of all sorry to ask such simple question over here. I have added
water molecule in my protein molecule in coot, also some Ba atom. I have
added the water molecule manually as when it was added automatically the
water added everywhere it find lobes of electron density. And also
when I
add Ba atom it gets converted as water molecule.
Your kind help will be greatly appreciated
Regards
Jeorge
--
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
-------
----
Pamela J. Focia, Ph.D.
Research Assistant Professor
Structural Biology Facility Manager
Robert H. Lurie Comprehensive Cancer Center
in the Departments of:
Molecular Pharmacology and Biological Chemistry, Feinberg School of
Medicine,
and Molecular Biosciences, Northwestern University
303 E. Chicago Ave., S-215, Chicago 60611
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