[ccp4bb] ARP/wARP Solvent

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

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

Previous message:
Subject: Re: Characterization of Protein Conformational Changes
From: Nathaniel Echols nathaniel {- dot -} echols {- at -} GMAIL {- dot -} COM
Date: 2009-01-07

Next message:
Subject: Re: Characterization of Protein Conformational Changes
From: Tom Burnley tom {- dot -} burnley {- at -} GMAIL {- dot -} COM
Date: 2009-01-07

Subject: ARP/wARP Solvent
From: Matthew Chu linghonmatthew {- at -} GMAIL {- dot -} COM
Date: 2009-01-07

Dear all,

I tried to use ARP/wARP 7.0.1 GUI for solvent building, however it couldn't
recognize my ligand library file (.cif), which works fine in refmac
refinement.
Apparently, the error message is:

===> Error: New ligand has been encountered. Stopping now
Refmac_5.2.0019: New ligand has been encountered. Stopping now
Your coordinate file has a ligand which has either minimum or no description
in the library
A new ligand description has been added to
/tmp/mchu/refmac5_temp1.03957_lib.cif

Even if I use the one refmac created after the error, it still can't
recognize this new cif file...

I also tried to run it from command line, another problem was raised. It
couldn't recognize the FP label in my mtz when I used the keyword [fp F_New]
[sigfp SIGF_New] [freer FreeR_flag]

Error message:
Label FP does not match the content of the datafile
/home/mchu/ARP_wARP/solvent/L1.mtz
Possible mtz labels are: F_New FC FWT DELFWT

Does anyone have any idea why and how I can fix it? Thank you so much in
advance!

Kind regards,
Matt

--
----------------------------------------------------------------------------------
Matthew LH Chu
PhD Student
School of Pharmacy and Pharmaceutical Sciences
University of Manchester
----------------------------------------------------------------------------------

CCP4bb navigation

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

Previous message:
Subject: Re: Characterization of Protein Conformational Changes
From: Nathaniel Echols nathaniel {- dot -} echols {- at -} GMAIL {- dot -} COM
Date: 2009-01-07

Next message:
Subject: Re: Characterization of Protein Conformational Changes
From: Tom Burnley tom {- dot -} burnley {- at -} GMAIL {- dot -} COM
Date: 2009-01-07