[ccp4bb] Missing scatter deffinition in CNS

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-07-13

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Subject: Missing scatter deffinition in CNS
From: Jian Wu protease {- at -} GMAIL {- dot -} COM
Date: 2007-07-13

Dear all,
I am refining a structure in which there is an fluorine atom in the
inhibtor. When I go on the energy minimization in CNS, an unusual error
happened to this atom:

Program version= 1.1 File version= 1.1
CONNECt: selected atoms form 9 covalently disconnected set(s)

list of isolated (non-covalently bonded) atoms:
--none--
list of isolated (non-covalently bonded) di-atomic molecules:
--none--
%XRASSOC-ERR: missing SCATter definition for ( $ RX4 300 FAF )
chemical=FPAF
%XRASSOC error encountered: missing SCATter definition for SELEcted atoms.
(CNS is in mode: SET ABORT=NORMal END)
*****************************************************
ABORT mode will terminate program execution.
*****************************************************
Program will stop immediately.

I have check the topology file, the paramter file, and the scatter.lib file,
but found nothing is unusual in these files. Had anyone ever encountered
this problem before?
Any suggestion would be welcome and thank you in advance!
Best Regards,
Jian Wu

--
Jian Wu

Ph.D. Student
Institute of Biochemistry and Cell Biology
Shanghai Institutes for Biological Sciences
Chinese Academy of Sciences (CAS)
Tel: 0086-21-54921117
Email: protease@gmail.com

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Asking help about refmac5?
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-07-13

Next message:
Subject: Re: Twinning in C2 ?
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-07-13