Saturday, 5 November 2011

merging parts of models in COOT

From: Leonid Sazanov
Date: 19 October 2011 12:20

Hi,
If I have two somewhat different overlayed models, is it possible in COOT to replace part of one model by another?
Similarly to O command: merge_atoms <from_molecule residue_start residue_end> <to_molecule residue_start> ?
That's a useful feature in O, but could not find it so far in COOT.
Thanks!

--
Dr. Leonid A. Sazanov
Research group leader
Medical Research Council
Mitochondrial Biology Unit
Wellcome Trust / MRC Building
Hills Road
Cambridge

----------
From: Tim Gruene 

Dear Leonid,

To merge part of molecule B into molecule A you do in in steps:
- - remove the part from A that you want to replace
- - remove from B everything you do not want to merge with A
- - merge B into A (Calculate->Merge...)
- - change the newly created chain ID (Calculate->Change Chain ID...)

Tim
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen


----------
From: Debreczeni, Judit <Judit.Debreczeni@astrazeneca.com>
Date: 19 October 2011 13:24
To: CCP4BB@jiscmail.ac.uk

You can also try
Extensions->Modelling->Replace fragment
(usage self-explanatory)



>
T

----------
From: Ed Pozharski
IIUC what you want to do, shouldn't this be a trivial operation in a
text editor?

--
"Hurry up before we all come back to our senses!"
                          Julian, King of Lemurs







Dear all, thanks for replies!



Indeed, text editing or other combinations of manipulations will do the trick of course, but I wanted to do it in one command, as I need to make many substitutions in a very big model as I go along.

Suggested (replace-fragment) (or also (copy-residue-range)) do the desired job.

Thanks!



Dr. Leonid A. Sazanov
Research group leader
Medical Research Council
Mitochondrial Biology Unit
Wellcome Trust / MRC Building
Hills Road
Cambridge


No comments:

Post a Comment