Dear Dialing,
have you any specific reasons to believe that the crated PDB file does
not correspond to the refined model ? This could be easily checked by
comparing the statistics written in the header of the PDB file and those
at the end of the refmac logfile. If they do not differ, then your PDB
file should be correct.
Laurent
Le 06/01/2015 11:46, Tim Gruene a écrit :
Dear Dialing,
unless this has changed recently, in my experience refmac5 writes the
PDB and MTZ file only at the end of refinement, not intermediately.
Have you ruled out this is an issue with your operating system or file
system setup? Maybe the timestamp is messed up e.g. through an NFS system?
What is your operating system, what file system are you running the
refinement on?
Regards,
Tim
On 01/06/2015 04:16 AM, Dialing Pretty wrote:
I am talking the "creating date". For my situation, once the PDB file and mtz
file were created at around 6:00 pm, with the progression of the refinement and completed
at 8:00 pm, the date shown in the directory folder is always 6:00 pm. After 8:00 pm when
the refinement finished, I check the property of the PDB file and MTZ file, I find the
modify time (should be by Refmac5) is only several seconds after the created time and
the visited time, and the created time and the visited time are same.
Clearly I cannot get the expected PDB file and the MTZ file after 2 hours
refinement. Is any bug in my CCP4? Or there is something I do not understand?
Dialing
On Tuesday, 6 January 2015, 10:10, CHAVAS Leonard <ccp4hnaa...@gmail.com>
wrote:
Dear Dialing
are you talking about the 'creating date' or the 'modified date'?
Leo
On Jan 6, 2015, at 2:55 AM, Dialing Pretty
<000003f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote:
Dear All,
When I run Refmac, it would produce a refined PDB file and mtz file. My
question is, if I started the refinement at 6:00 pm and completed at 8:00 pm, I
find the refined PDB file and mtz file were created in the target directory at
perhaps 6:30 pm. I think from 6:30 pm the created PDB file and mtz file in the
target directory would be automatically updated to 8: 00 pm when the refinement
finished, am I right?
Dialing
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Laurent Maveyraud laurent.maveyraud AT ipbs DOT fr
P I C T --- Plateforme Intégrée de Criblage de Toulouse
Université Paul Sabatier / CNRS / I.P.B.S. UMR 5089
Département Biologie Structurale et Biophysique
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