[ccp4bb] How to override the use of NCS in Molrep?

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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From: Selma Tsuda selma {- at -} LNLS {- dot -} BR
Date: 2008-01-07

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Subject: How to override the use of NCS in Molrep?
From: Pietro Roversi pietro {- dot -} roversi {- at -} PATH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-01-07

Dear all,
I am working on a multidomain structure in P31 with two
copies in the asymmetric unit and pseudo-P3121 symmetry - the NCS is a
twofold relating most of copy A to copy B but one domain violates the
higher symmetry. I have placed all the NCS-obeying domains of A and B,
plus copy A of the NCS-violating domain, and am looking for the second
copy of the latter using molecular replacement. I am using all the
programs I know of including Molrep.

Now, the Molrep binary I downloaded from
http://www.ysbl.york.ac.uk/YSBLPrograms/index.jsp is far too clever: it
autodetects the NCS-twofold in the self rotation function and switches
the NCS on - which is not what I want:

INFO: Relations between peaks see in molrep.doc
NCS_model (from Model Self rotation Function): 1
Program will use NCS =: 1

Does anyone know how to turn this off?

Thanks!

Pietro
--
Pietro Roversi
Sir William Dunn School of Pathology, Oxford University
South Parks Road, Oxford OX1 3ER, England UK
Tel. 0044-1865-275385

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Scientist Position in Protein Crystallography - LNLS
From: Selma Tsuda selma {- at -} LNLS {- dot -} BR
Date: 2008-01-07

Next message:
Subject: Have a happy new year with your very own crystallography system!
From: Erin Curry erin {- at -} AAISOLUTIONS {- dot -} COM
Date: 2008-01-07