Re: [ccp4bb] How to prevent acetate ion clash into ZN in refmac5 and COOT?

2022-04-12 Thread Martin Moche
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

Re: [ccp4bb] Refmac error

2013-05-15 Thread Martin Moche
- 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, M

Re: [ccp4bb] Refmac error

2013-05-15 Thread 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 mon_lib_l

[ccp4bb] Attached error messages when creating directories in ccp4i - home/.CCP4/unix/configure.def in use?

2012-08-16 Thread Martin Moche
LOCK 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: +46-8-5

[ccp4bb] Too many symmetry molecules LINKed in refmac 5.5.0109

2012-07-11 Thread Martin Moche
inal authors did. Without the links 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 Moch

[ccp4bb] Post Doctoral Fellowships (24 months)

2008-02-14 Thread Martin Moche
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. For a