Re: [ccp4bb] bug in Arp/wArp solvent?
Dear Uli, thanks for letting us know - this is a bug that just happens in the CCP4i interface. If you use the command line, everything works fine. Here is an example how to use arp-solvent on the command line: # auto_solvent.sh datafile xxx.mtz protein xxx_start.pdb freelabin FREE We also just fixed the bug in the CCP4i interface, this will either come to you via the CCP4i updater or a near-future ARP/wARP patch ;) Cheers, Tim On 31 Jan 2014, at 09:30, ulrich.goh...@mdc-berlin.de ulrich.goh...@mdc-berlin.de wrote: Dear Arp/wArp developers, there seems to be a bug in the latest version of Arp/wArp Solvent (7.4 patch 1) shipped with ccp4 v 6.4.0: despite ticking the box For REFMAC 5 refinement do USE the Free R flag, the log file shows the message FreeR will not be used (and it clearly doesn't). Or am I missing something here? Cheers, Uli --- dr ulrich gohlke staff scientist - macromolecular structure and interaction max-delbrück-center for molecular medicine (mdc) +49 30 9406 - 2725 (w) +49 30 9406 - 2548 (fax) ulrich.goh...@mdc-berlin.de http://www.mdc-berlin.de/en/research/research_teams/macromolecular_structure_and_interaction/ __ Dr. Tim Wiegels Postdoc @ Lamzin Group, EMBL Hamburg __ EMBL Hamburg c/o DESY Notkestrasse 85 DE-22603 HAMBURG GERMANY Phone 0049 40 89902-184 Fax 0049 40 89902-149
Re: [ccp4bb] CCP4 Update victim of own success
Fight Fight Fight! On Apr 11, 2013, at 5:46 PM, eugene.krissi...@stfc.ac.uk wrote: That's really hard. Duel? Eugene On 11 Apr 2013, at 16:32, James Holton wrote: CCP4 has a GUI? -James Holton MAD Scientist On 4/11/2013 5:17 AM, eugene.krissi...@stfc.ac.uk wrote: Sorry that this was unclear. We assume that updater is used primarily from ccp4i, where nothing changed (and why it should be used from command line at all ?:)). The name was changed because it is reserved in Windows, which caused lots of troubles. Now it will stay as is. Eugene On 11 Apr 2013, at 05:16, James Stroud wrote: On Apr 10, 2013, at 9:30 PM, eugene.krissi...@stfc.ac.ukmailto:eugene.krissi...@stfc.ac.uk eugene.krissi...@stfc.ac.ukmailto:eugene.krissi...@stfc.ac.uk wrote: No, it got renamed to ccp4um :) That should have been written in update descriptions, was it not? There was only one mention of ccp4um that I could find in all update descriptions that I found (6.3.0-020). I only figured out what information was trying to be communicated because of your message (see attachment). James um-what.png On 11 Apr 2013, at 03:54, James Stroud wrote: Hello All, I downloaded a crispy new version of CCP4 and ran update until the update update script disappeared. Is the reason that CCP4 has reached its final update? James -- Scanned by iCritical.
