[ccp4bb] Processing files from XSCALE in Aimless

2013-07-26 Thread Horrell, Sam
Hi Everyone, I've been trying to process some data using Xia2, XSCALE, Pointless and Aimless. I have a large number of datasets (over 100) so have used Xia2 to produce the XDS_ASCII.HKL files using the 3daii pipeline. I now want to process them manually (with a script) using XSCALE and

Re: [ccp4bb] Processing files from XSCALE in Aimless

2013-07-26 Thread Joe.Lyons
of Horrell, Sam Sent: Fri 7/26/2013 1:32 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Processing files from XSCALE in Aimless Hi Everyone, I've been trying to process some data using Xia2, XSCALE, Pointless and Aimless. I have a large number of datasets (over 100) so have used Xia2 to produce

Re: [ccp4bb] Processing files from XSCALE in Aimless

2013-07-26 Thread Kay Diederichs
Hi Sam, one possibility: there was a little bug in a recent build of XSCALE that resulted in one of the header lines of the output file to not specify the name XSCALE - it wrote: !GENERATED BY: July 4, 2012 and it should have been !GENERATED BY: XSCALE (VERSION March 30, 2013) The lack of

Re: [ccp4bb] Processing files from XSCALE in Aimless

2013-07-26 Thread Horrell, Sam
@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Processing files from XSCALE in Aimless On Fri, 26 Jul 2013 15:19:57 +0100, Joe.Lyons joe.ly...@ul.ie wrote: Hi Sam, Assuming the XDS_ASCII.HKL is from XSCALE. I generally run it through Pointless then aimless with (a scales constant command) using something like

Re: [ccp4bb] Processing files from XSCALE in Aimless

2013-07-26 Thread Kay Diederichs
Hi Sam, Your version of XSCALE is OK since it prints out the string XSCALE (the date is OK - my fault!). Rp.i.m. is indeed not listed in XSCALE.LP. Best, Kay -- Diese Nachricht wurde von meinem Android-Mobiltelefon mit K-9 Mail gesendet.