Having just faced this problem, I used the coot 'symm shift reference
chain here' command (in Extensions / Modelling menu) to assemble the
model from the scattered fragments.
This should be scriptable, but I didn't think it was worth the effort
for the 20 odd fragments I had.
Hope this he
coot, lsq command
i have not checked chimera but it may have too. (I think so)
For coot. I used it recently for a small molecule.
And pymol
Finally the superpose server may do it.
On Jul 8, 2015, at 3:41 PM, Bernhard Rupp (Hofkristallrat a.D.)
wrote:
> Hi Fellows,
>
> I seek advice for a
.)"
Date:
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Model parts rearrangement
Hi Fellows,
I seek advice for a trivial but tedious problem: I have rebuilt,
automatically and manually, several parts of a
structure, which of course, are all over the place in different ASUs. I also
ha
hard
Rupp (Hofkristallrat a.D.)
Sent: Wednesday, July 08, 2015 3:41 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Model parts rearrangement
Hi Fellows,
I seek advice for a trivial but tedious problem: I have rebuilt, automatically
and manually, several parts of a structure, which of course, are al
Hi Fellows,
I seek advice for a trivial but tedious problem: I have rebuilt,
automatically and manually, several parts of a
structure, which of course, are all over the place in different ASUs. I also
have a reference model, where
the parts form a correct ASU.
Is the a program/script that can
