Re: [ccp4bb] current non-commercial version of XDS will expire at end of August

2024-08-20 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Rather unsurprisingly xia2 will stop working with this version due to some rather inelegant parsing of the INTEGRATE.LP file - the fix is an easy one and will come out in the next-but-one release of dials as the next release was already in progress. An extra couple of spaces and slightly wider c

[ccp4bb] current non-commercial version of XDS will expire at end of August

2024-08-20 Thread Kay Diederichs
Dear XDS users, just a heads-up: non-commercial users of XDS should update their binaries; download link and release notes are at https://xds.mr.mpg.de/ . A few little things have changed so you may have to adapt your scripts. Best wishes, Kay ##

Re: [ccp4bb] CIF file Cannot Open by Coot

2024-08-20 Thread Oliver Smart
Hi Martin, I hope you are getting on well with one of the restraints for your molecule. But if choose to tweak the restraints to agree with a CSD small molecule structure for BODIPY, then I thought I should let you know that the structure you have downloaded YOWVOW has a high R-factor 10.29% >

[ccp4bb] CCP4 series 9 update 003

2024-08-20 Thread Charles Ballard - STFC UKRI
Dear All 003 is available for installation. It includes update to coot 1 (linux and osx), ccp4cloud, ccp4i2, servalcat and Arcimboldo (linux and osx). Also included are fixes for mosflm issues on windows. Enjoy Charles (CCP4 Core Team) Ps – various CCP4 team members will be in Padova at the

[ccp4bb] CCPBioSim Industry Talk 11 September 2024

2024-08-20 Thread Sarah Fegan - STFC UKRI
Hi all, Our next industry talk has an experimental flavour. This online talk will be given by Mona Sarter from the ISIS Neutron Source on Wednesday 11 September 2024 at 14:00 UK time. Registration is free, see https://www.ccpbiosim.ac.uk/neutrons2024 for the registration link and details. Plea