Hi,
The way I worked around it was setting LIBIN before starting coot using setenv command.
coot still notes that LIBIN is not being passed but refmac takes the file and refinement moves forward.
Thanks
Balaji
-----Original Message-----
From: Mailing list for users of COOT Crystallographic Software on behalf of Balaji Bhyravbhatla
Sent: Wed 5/16/2007 10:44 AM
To: [log in to unmask]
Subject: Re: REFMAC and LIBIN
Hello All,
Based on the suggestion given by Paul below I replaced the refmac file and I get the following line in between other screen output:
Not Passing LIBIN to refmac LIBIN
When I read in the cif file intially I get this on the screen:
there are 2 data in /home/xtal/AQ1/ligand_info/May1023396/M97.cif
Read 52 bond restraints from /home/xtal/AQ1/ligand_info/May1023396/M97.cif
Any thoughts?
Thanks
Balaji
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>Indeed.
>
>You could try replacing your xxx/share/coot/scheme/refmac.scm with
>http://coot.googlecode.com/svn/trunk/scheme/refmac.scm
>
>The Coot output will now tell you more clearly which dictionary (or
>not) refmac will be using.
>
>Paul.
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