Re: [ccp4bb]: Refmac5 parameter MAXCHAIN

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Masaki Unno wrote:
> 
> *** For details on how to be removed from this list visit the *** ***
> CCP4 home page http://www.ccp4.ac.uk ***
> 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.
> 
> 


 Can you Email a bit of your coordinate file.

E