Thanks Paul!!
I will send you the files off list.
Cheers,
Martin
From: CCP4 bulletin board On Behalf Of Paul Emsley
Sent: den 12 april 2022 10:11
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] How to prevent acetate ion clash into ZN in refmac5 and
COOT?
On 11/04/2022 15:55, Martin Moche
Dear colleagues,
I have the same problems as Peer Mittl once had.
Was this solved and what was the solution?
Running arpWarp the job terminates with the message:
Refmac_5.7.0032: Open failed: File:
/software/apps/ccp4/ccp4-6.3.0/lib/data/monomers/list/mon_lib_list.cif
However the
-
From: Alexander Batyuk [mailto:bat...@bioc.uzh.ch]
Sent: den 15 maj 2013 10:34
To: Martin Moche
Subject: Re: [ccp4bb] Refmac error
Dear Martin,
I think we solved it by changing the file's permissions (for mon_lib_list.cif)
to rwxrwxrwx
Best wishes,
Alex
On 15 May 2013, at 10:25, Martin
into configure.def in home/.CCP4/unix/?
I do not want to corrupt the user database...problem 1 remain...
Thanks,
Martin
What to do about this?
Best regards,
Martin
Martin Moche, Ph.D.
Head of Protein Crystallography
Karolinska Institutet
MBB/PSF
Scheeles väg 2
171 77 Stockholm
Sweden
phone: +46-8-524 868 43
the refinement is ok however correctly inserted links would
make it even better since I get bumps instead of a covalent bond at the LINK
positions.
Best regards,
Martin
WARNING : chain BB is cyclic ?
I am repeating the refinement of 3GBI
Martin Moche, Ph.D.
Head of Protein Crystallography
determination/refinement projects.
Supervisor: Dr. Martin Moche, Starting date: No later than October 2008
All SGC research is carried out by teams in a highly collaborative manner,
and applicants must therefore have strong interpersonal skills as well as
the ability to work independently
