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[ccp4bb]: Refmac5 parameter MAXCHAIN
Title: Refmac5 parameter MAXCHAIN
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Dear all
I am refining a protein structure. Though I have refined it with CNS,
I tried refmac5 (version 5.1.24) in ccp4i (ccp4 4.2.1) (for TLS
refinement). My structure (not large) contains about 430 amino acids,
500 waters and 30 ions. When I tried the refmac5, an error occurred
with the message ヤ ERROR: Number of chains > 300/ Change parameter
MAXCHAIN in メatom-com.fhモ and the job stopped. So, I changed the
parameters of MAXCHAIN in atom-com.fh (from 300 to 3,000). However,
the same error occurred, again.
What is wrong? When I tried
the same procedure with the structure does not contain the half of
all waters, the job normally completed. (Of course, R-values were a
little high.).
Could someone tell me how to
solve the problem?
Best regards.
Masaki UNNO
Institute of Multidiscipilinary Research for Advanced Materials
(IMRAM)
Tohoku University
1,1 Katahira, 2-Chome, Aobaku, Sendai 980-8577, Japan
Tel +81-22-217-5117
Fax +81-22-217-5118