Re: [ccp4bb] SCALA bugs in CCP4 6.3.0?
Hi Peter, We're still working on the resolution of this bug. In the meantime you may wish to replace 6.3.0's scala.exe with the one from 6.2.0, which is linked to from the Windows Problems pageshttp://www.ccp4.ac.uk/problems/windows.php#ccp4-6.3.0. Scala has not changed much between the two releases, only an increase in the maximum number of allowed batches from 5000 to 1. If this limit is a problem for you, then Phil's advice is to use Aimless instead. Best regards -- David On 3 August 2012 19:02, Peter Goettig peter.goet...@sbg.ac.at wrote: In the Windows version of the new CCP4 release SCALA produces a summary table (same in the full text) that contains only some rudimentary data, such as Overall InnerShell OuterShell Low resolution limit 19.97 0.00 0.00 High resolution limit 3.00 0.00 0.00 Rmerge 0.000 0.000 0.000 Rmerge in top intensity bin0.115- - Rmeas (within I+/I-) 0.000 0.000 0.000 aso while the final statement of SCALA is ** Normal termination ** Has anyone else experienced similar problems and found a way to solve them? Otherwise, I would ask the developpers to take care of the bugs. However, the corresponding tables generated by AIMLESS contain the full information. Regards, Peter Peter Goettig Structural Biology University of Salzburg Billrothstrasse 11 Salzburg, Austria
Re: [ccp4bb] SCALA bugs in CCP4 6.3.0?
Dear Peter, You are not alone with this. We have just found out about this bug. It appears to just be a problem with output formatting (the MTZ should be fine). We'll get a fix as soon as we can and will provide a link to 6.2.0's version of scala from the problems page as a workaround early next week. Sorry about this. David (CCP4) On Aug 3, 2012 7:13 PM, Peter Goettig peter.goet...@sbg.ac.at wrote: In the Windows version of the new CCP4 release SCALA produces a summary table (same in the full text) that contains only some rudimentary data, such as Overall InnerShell OuterShell Low resolution limit 19.97 0.00 0.00 High resolution limit 3.00 0.00 0.00 Rmerge 0.000 0.000 0.000 Rmerge in top intensity bin0.115- - Rmeas (within I+/I-) 0.000 0.000 0.000 aso while the final statement of SCALA is ** Normal termination ** Has anyone else experienced similar problems and found a way to solve them? Otherwise, I would ask the developpers to take care of the bugs. However, the corresponding tables generated by AIMLESS contain the full information. Regards, Peter Peter Goettig Structural Biology University of Salzburg Billrothstrasse 11 Salzburg, Austria
Re: [ccp4bb] SCALA bugs in CCP4 6.3.0?
This must be a problem on Windows as it doesn't show up on OSX or Linux, and this code hasn't changed for a long time, I think David I guess you will feed this back to me: I don't have any way of testing on Windows Anyway, Aimless should be better :-) Phil On 4 Aug 2012, at 14:26, David Waterman wrote: Dear Peter, You are not alone with this. We have just found out about this bug. It appears to just be a problem with output formatting (the MTZ should be fine). We'll get a fix as soon as we can and will provide a link to 6.2.0's version of scala from the problems page as a workaround early next week. Sorry about this. David (CCP4) On Aug 3, 2012 7:13 PM, Peter Goettig peter.goet...@sbg.ac.at wrote: In the Windows version of the new CCP4 release SCALA produces a summary table (same in the full text) that contains only some rudimentary data, such as Overall InnerShell OuterShell Low resolution limit 19.97 0.00 0.00 High resolution limit 3.00 0.00 0.00 Rmerge 0.000 0.000 0.000 Rmerge in top intensity bin0.115- - Rmeas (within I+/I-) 0.000 0.000 0.000 aso while the final statement of SCALA is ** Normal termination ** Has anyone else experienced similar problems and found a way to solve them? Otherwise, I would ask the developpers to take care of the bugs. However, the corresponding tables generated by AIMLESS contain the full information. Regards, Peter Peter Goettig Structural Biology University of Salzburg Billrothstrasse 11 Salzburg, Austria
Re: [ccp4bb] SCALA bugs in CCP4 6.3.0?
Yep, it's definitely our problem not yours, Phil ;-). I believe the only change to scala source since 6.2.0 was to up the maximum number of batches again. This new bug is probably related to the change of compiler for 6.3.0. We'll be trying to make sense out of this next week. Cheers D On Aug 4, 2012 2:34 PM, Phil Evans p...@mrc-lmb.cam.ac.uk wrote: This must be a problem on Windows as it doesn't show up on OSX or Linux, and this code hasn't changed for a long time, I think David I guess you will feed this back to me: I don't have any way of testing on Windows Anyway, Aimless should be better :-) Phil On 4 Aug 2012, at 14:26, David Waterman wrote: Dear Peter, You are not alone with this. We have just found out about this bug. It appears to just be a problem with output formatting (the MTZ should be fine). We'll get a fix as soon as we can and will provide a link to 6.2.0's version of scala from the problems page as a workaround early next week. Sorry about this. David (CCP4) On Aug 3, 2012 7:13 PM, Peter Goettig peter.goet...@sbg.ac.at wrote: In the Windows version of the new CCP4 release SCALA produces a summary table (same in the full text) that contains only some rudimentary data, such as Overall InnerShell OuterShell Low resolution limit 19.97 0.00 0.00 High resolution limit 3.00 0.00 0.00 Rmerge 0.000 0.000 0.000 Rmerge in top intensity bin0.115- - Rmeas (within I+/I-) 0.000 0.000 0.000 aso while the final statement of SCALA is ** Normal termination ** Has anyone else experienced similar problems and found a way to solve them? Otherwise, I would ask the developpers to take care of the bugs. However, the corresponding tables generated by AIMLESS contain the full information. Regards, Peter Peter Goettig Structural Biology University of Salzburg Billrothstrasse 11 Salzburg, Austria
