how can I merge denzo output files
I hope I am a dummy and I missed the obvious, but if I have a list of ".x" files from DENZO integration and want to merge and scale them as an mtz file in phenix or xds (I don't have access to scalepack) is there a pre-written program for that? Laurie Betts
On Fri, Jan 9, 2015 at 8:44 AM, lbetts0508 .
I hope I am a dummy and I missed the obvious, but if I have a list of ".x" files from DENZO integration and want to merge and scale them as an mtz file in phenix or xds (I don't have access to scalepack) is there a pre-written program for that?
Aimless or pointless in ccp4 would be the first thing to try. (I don't think any part of Phenix can even read DENZO output.) -Nat
As far as I know, Scalepack is the only program which can read .x files (and they need scalepack algorithms to deal with them, with the postrefinement). Scalapack output files can be read in many ways
Phil
On 9 Jan 2015, at 16:53, Nathaniel Echols
On Fri, Jan 9, 2015 at 8:44 AM, lbetts0508 .
wrote: I hope I am a dummy and I missed the obvious, but if I have a list of ".x" files from DENZO integration and want to merge and scale them as an mtz file in phenix or xds (I don't have access to scalepack) is there a pre-written program for that? Aimless or pointless in ccp4 would be the first thing to try. (I don't think any part of Phenix can even read DENZO output.)
-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Dear Laurie Betts, there is also the program x2sad that reads in the x-files and converts them to the format required for scaling with sadabs. I don't know the license condition for x2sad, I suppose you would require a license for Bruker shelxtl - maybe someone near you has a Bruker machine? Best, Tim On 01/10/2015 09:16 AM, Phil Evans wrote:
As far as I know, Scalepack is the only program which can read .x files (and they need scalepack algorithms to deal with them, with the postrefinement). Scalapack output files can be read in many ways
Phil
On 9 Jan 2015, at 16:53, Nathaniel Echols
wrote: On Fri, Jan 9, 2015 at 8:44 AM, lbetts0508 .
wrote: I hope I am a dummy and I missed the obvious, but if I have a list of ".x" files from DENZO integration and want to merge and scale them as an mtz file in phenix or xds (I don't have access to scalepack) is there a pre-written program for that? Aimless or pointless in ccp4 would be the first thing to try. (I don't think any part of Phenix can even read DENZO output.)
-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
participants (4)
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lbetts0508 .
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Nathaniel Echols
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Phil Evans
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Tim Gruene