Re: [ccp4bb] pointless and HKL2000
just use the no merge original index command, which you can add during scaling using a macro. Just type no merge original index in the macro field during scaling. Then you'll have to import unmerged data to an mtz file using combat, if I remember correctly. hth, ciao sebastiano Monday, October 6, 2008, 5:04:05 PM, Yue Li wrote: Hi everyone, I would like to us pointless in CCP4 to check the laue group of a crystal. Since pointless needs unmerged data, my question is how to generate the unmerged data for pointless from HKL2000 ? Thanks, Simon -- Sebastiano Pasqualato, PhD IFOM-IEO Campus Dipartimento di Oncologia Sperimentale Istituto Europeo di Oncologia via Adamello, 16 20139 - Milano Italy tel +39 02 9437 5094 fax +39 02 574 303 310
Re: [ccp4bb] pointless and HKL2000
Hi Simon, If you output no merge original index from scalepack, and (I assume) don't impose any symmetry on the data, so scale in P1, pointless will be able to work with the output. You will need a relatively recent version of pointless though, from ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre Best, Graeme -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Yue Li Sent: 06 October 2008 16:04 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] pointless and HKL2000 Hi everyone, I would like to us pointless in CCP4 to check the laue group of a crystal. Since pointless needs unmerged data, my question is how to generate the unmerged data for pointless from HKL2000 ? Thanks, Simon