Hi Tim,
I don't think the capability exists as it did in the previous versions. Not using any keywords or using any keywords produces:
ERROR: number of peaks of rotation function = 0
I can get molrep to solve the structure if I convert the image reconstruction to a reflection file and use the phases for a phased search with the following keywords:
PRF Y
LABIN F=F-obs PH=PHIF
I think molrep has been modified to use electron density as the search model, rather than the target.
I hope I'm wrong cause converting the image reconstruction to a reflection file can cause problems if the image reconstruction is too big and one wants to search only a portion of it.
Best wishes,
Reza
Reza Khayat, PhD
Assistant Professor
City College of New York
Department of Chemistry
New York, NY 10031
________________________________________
From: Tim Gruene <[log in to unmask]>
Sent: Tuesday, September 13, 2016 4:30 PM
To: [log in to unmask]; Reza Khayat
Subject: Re: [ccp4bb] Molrep
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Dear Reza,
are you sure about this? The current (all updates installed) man-page lists
molrep [HKLIN in.mtz] [MAPIN EM_map.ccp4] [MODEL in.pdb ...
which looks pretty much like that feature has not been removed.
Best,
Tim
On Tuesday, September 13, 2016 07:20:25 PM Reza Khayat wrote:
> Hi,
>
>
> Is anyone familiar with attaining older versions of Molrep? It seems that
> the newer versions no longer fit PDB into a cryo-EM image reconstruction.
> Thanks.
>
>
> Best wishes,
> Reza
>
>
> Reza Khayat, PhD
> Assistant Professor
> City College of New York
> Department of Chemistry
> New York, NY 10031
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