Yes - I did that - so many crystallographic manipulations got built into CAD - and it is sometimes very hard to find the supposedly up-to-date equivalents.. E
On Wed, 6 Apr 2022 at 10:09, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: > > Hahaahahahahahahaha! Young wippersnappers! > > > -------- Forwarded Message -------- > Subject: Re: [ccp4bb] sftools > Date: Wed, 6 Apr 2022 09:08:03 +0000 > From: Philippe BENAS <00000d88e888355a-dmarc-requ...@jiscmail.ac.uk> > <00000d88e888355a-dmarc-requ...@jiscmail.ac.uk> > Reply-To: Philippe BENAS <philippe_be...@yahoo.fr> > <philippe_be...@yahoo.fr> > To: CCP4BB@JISCMAIL.AC.UK > > Dear Eleanor, > > I think it would be a good idea to use CAD from the CCP4i GUI: you can > change/add cell parameters, crystal, wavelength, dataset and project > names. > > All the best, > Philippe > > ------------------------------ > Philippe BENAS, Ph.D. > > ARN UPR 9002 CNRS > IBMC Strasbourg > 2, Allée Conrad Roentgen > F-67084 STRASBOURG cedex (Google Maps Code Plus: HQH7+VV Strasbourg) > +33.3.8841.7109 > E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr > URLs: https://ibmc.cnrs.fr/, https://ibmc.cnrs.fr/laboratoire/arn/ > ------------------------------ > > > > Le mardi 5 avril 2022 à 15:47:15 UTC+2, Eleanor Dodson > <0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> > <0000176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> a écrit : > > > > > Does ANYONE know how to use this useful but ultra-frustrating program?? > > I have an mtz file which lacks WAVElength AND Dataset name. > > I try to follow the sftools documentation, and get an output file which - > lacks WAVElength AND Dataset name. > > Grrrr > > > sftools <<eof > READ "detwin_job1-IMEANa.mtz" mtz > SET DWAVE 1.2 WAVElength AND Dataset name. > write "detwin_job1-IMEANab.mtz" mtz > EXIT > YES > eof > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
