Re: [ccp4bb] scala discrepancy between versions
Dear Jens, did you try aimless instead of scala? I understood it is the successor of scala and I would not have thought scala is still being developed. Phil should correct me if I am wrong. Best, Tim P.S.: I hope it will be a long time before the last release of ccp4. ;-) On 12/10/2013 05:05 AM, Jens Kaiser wrote: Dear developers, We have been doing the local scaling with scala of multiple wavelengths for some time. We scaled one dataset collected remotely from the absorption edge, and input this to scala as a reference as one batch without any problems. With the latest release of CCP4, though, we get the following error (reference dataset is assigned to batch 9): Missing phi limits for batch 9 No valid orientation data for batch 9: this is not allowed with TAILS, SECONDARY, ABSORPTION or BEAMS options Scala: Failed in SETSCL Times: User: 0.0s System:0.0s Elapsed: 0:00 Our current workaround is to use the last, not the latest, release of CCP4. Any help is appreciated, Jens -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A signature.asc Description: OpenPGP digital signature
Re: [ccp4bb] scala discrepancy between versions
Dear Jens I'm surprised by this as Scala hasn't changed for quite a long time, as it is now now superseded by Aimless. However, I haven't implemented a reference dataset in Aimless since in the end I decided that it wasn't very useful, so if you find it useful then you will indeed need to use Scala. I will investigate, but in the meantime you could just copy an old version of Scala into the updated ccp4 directory (i.e. into $CBIN == CCP4/bin/) Phil On 10 Dec 2013, at 04:05, Jens Kaiser kai...@caltech.edu wrote: Dear developers, We have been doing the local scaling with scala of multiple wavelengths for some time. We scaled one dataset collected remotely from the absorption edge, and input this to scala as a reference as one batch without any problems. With the latest release of CCP4, though, we get the following error (reference dataset is assigned to batch 9): Missing phi limits for batch 9 No valid orientation data for batch 9: this is not allowed with TAILS, SECONDARY, ABSORPTION or BEAMS options Scala: Failed in SETSCL Times: User: 0.0s System:0.0s Elapsed: 0:00 Our current workaround is to use the last, not the latest, release of CCP4. Any help is appreciated, Jens
[ccp4bb] scala discrepancy between versions
Dear developers, We have been doing the local scaling with scala of multiple wavelengths for some time. We scaled one dataset collected remotely from the absorption edge, and input this to scala as a reference as one batch without any problems. With the latest release of CCP4, though, we get the following error (reference dataset is assigned to batch 9): Missing phi limits for batch 9 No valid orientation data for batch 9: this is not allowed with TAILS, SECONDARY, ABSORPTION or BEAMS options Scala: Failed in SETSCL Times: User: 0.0s System:0.0s Elapsed: 0:00 Our current workaround is to use the last, not the latest, release of CCP4. Any help is appreciated, Jens
