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Re: [ccp4bb]: about REFMAC
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warizaya masaichi wrote:
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> *** CCP4 home page http://www.ccp4.ac.uk ***
> I'm bigginer of CCP4
> Now, I'm trying to use "old" REFMAC ver 4.0.2 (CCP4 ver 3.5) for
> refinment of a protein binding inhibitor.
> "Protin.dic" do not include inhibitor paramater because inhibitor was
> synthesized in our lab.
> Inhibitor compound includes indole-ring,some hetero-atoms and so on.
> Then I proccesed as follows,
> 1. making dictionary file of inhibitor with "makedict" program.
> 2. re-writing protin.dic to include inhibitor dictionary file.
> 3. carring out "refmac".
> but next error message is printed out
> "***ERROR: Group Name FR given for Residue No. 1
> is NOT among those in the table of standard groups."
> So, Am I something wrong with this way?
> Is there another way?
> I'm looking forward your reply.
We suggest installing the latest CCP4!
I can maybe remember the method for protin but it will not give you
such good answers..