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Re: [ccp4bb]: MOLREP for NMR ensembles
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"Steven A. Jacobs" wrote:
> I am trying to use Molrep to do molecular replacement of an ensemble of
> NMR structures using ccp4i. I have selected the option "If input PDB is
> for NMR models then use = multiple models for RF and TF". The program is
> able to use the ensemble of structures to find the rotation, but gives me
> the following error when I try to use the ensemble to get the
> translations:
> ERR: OPEN FILE /FOR WRITE/
> NAME :molrp_scratch_rdc;
> EXTENTION :dat;
> ERR: RFFT: OPEN SCRATCH_FILE
> molrep: Failure
>
> If anyone knows how I can fix this problem, I would greatly appreciate the
> help.
I think the best way to solve this problem is
to use new version of molrep (7.1)
to get new version of MOLREP either visit
http://www.ysbl.york.ac.uk/~alexei/molrep.html
or use york's ftp
ftp ftp.ysbl.york.ac.uk
login anonymous
cd pub/alexei
get molrep.tar.gz
After gunzipping and untarring follow instructions in README.
Regards
Alexei
---------------------------------------------------------------
Alexei A. Vagin, Chemistry Department, University of York,
Heslington, York YO1 5DD, UK; Tel: +44(1904) 432593 , Fax: +44(1904)
410519
http://www.ysbl.york.ac.uk/~alexei/