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[ccp4bb]: about REFMAC
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Hello,
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.
--
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藤沢薬品工業株式会社
探索研究所 分子科学
割鞘雅一
E-mail:masaichi_warizaya@po.fujisawa.co.jp
TEL : (0298)47-8611
FAX : (0298)47-8313
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Masaichi Warizaya
Exploratory Research Laboratories
Fujisawa Pharmaceutical CO. LTD.
5-2-3, Tokodai, Tsukuba, Ibaraki 300-2698, Japan
E-mail:masaichi_warizaya@po.fujisawa.co.jp
TEL : +81-298-47-8611
FAX : +81-298-47-8313
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