Hey Paul,
in revision 3315, I also had to use the variable name
COOT_REFMAC_LIB_DIR to read it the new dictionary, and I get the same
"problem reading link angle mmCIFLoop" warning.
Andreas
On 29/03/2011 8:35, Ben Eisenbraun wrote:
Hi Paul et al,
I tested the new version and it seems to work well - for proteins at least.
Download the Refmac dictionary:
http://www.ysbl.york.ac.uk/refmac/data/refmac_experimental/refmac_dictionary_v5.26.tar.gz
create a directory data
untar the refmac dictionary tar in the data directory
setenv COOT_REFMAC_MON_LIB_DIR .
start coot
- and you should see it start up and read the standard residue
definitions, data/monomers/x/XXX.cif etc.
I've been playing with this at Mark's request. A few things:
- COOT_REFMAC_MON_LIB_DIR doesn't seem to work as the shell setting in
r3440 for the REFMAC dictionary, but COOT_REFMAC_LIB_DIR does.
- While loading, Coot prints:
There are 125 data in
/programs/share/coot/refmac-dictionary/data/monomers/list/mon_lib_list.cif
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
problem reading link angle mmCIFLoop
There are 2 data in
/programs/share/coot/refmac-dictionary/data/monomers/a/ALA.cif
<snip more>
Am I going to blow up all my users with the mmCIF error?
I hope you're having fun in China!
-ben
--
| Ben Eisenbraun
| SBGrid Consortium | http://sbgrid.org |
| Harvard Medical School | http://hms.harvard.edu |
--
Andreas Förster, Research Associate
Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk
