Re: [ccp4bb] How long does it take crank 2 (refmac step) to run?

2015-01-31 Thread Pavol Skubak
been running a whole night without any further output. Does anybody know if it is normal or there is an error? Thanks, Nick Huang Hauptman-Woodward Institute -- Pavol Skubak Biophysical Structural Chemistry Gorleaus Laboratories Einsteinweg 55 Leiden University LEIDEN 2333CC

Re: [ccp4bb] a challenge

2013-01-12 Thread Pavol Skubak
, -- Pavol Skubak Biophysical Structural Chemistry Gorleaus Laboratories Einsteinweg 55 Leiden University LEIDEN 2333CC the Netherlands tel: 0031715274414 web: http://bsc.lic.leidenuniv.nl/people/skubak-0

Re: [ccp4bb] a challenge

2013-01-12 Thread Pavol Skubak
AM, Pavol Skubak wrote: Dear James, your challenge in its current form ignores an important source of information for model building that is available for your simulated data - namely, it does not allow to use anomalous phase information in the model building. In difficult cases

Re: [ccp4bb] Anomalous map creating

2009-10-26 Thread Pavol Skubak
You can also get anomalous maps from Refmac, just input F+ and F- and ANOM MAPO keyword. See http://www.ccp4.ac.uk/dist/html/refmac5/bugs_and_features.html for more information if needed. Pavol

Re: [ccp4bb] refmac not rerunnable

2009-03-24 Thread Pavol Skubak
As far as I know the compatibility has been broken because of adding new features such as intensity based refinement or multiple anomalous scatterers to the GUI Pavol -- Sent from: Leiden ZH Netherlands. This is VERY VERY VERY irritating! Why has it been allowed... Is there any

[ccp4bb] TLS refinement in 6.1.1

2009-03-19 Thread Pavol Skubak
Dear Martin, this should be fixed in the latest refmac version http://www.ysbl.york.ac.uk/~garib/refmac/latest_refmac.html Please let us know if it is not! Pavol. -- Sent from: Leiden ZH Netherlands.

Re: [ccp4bb] refmac 5.5.063 vs. 5.5.066

2008-12-19 Thread Pavol Skubak
Hi Jan, the difference between 5.5.0063 and 5.5.0066 is just a few bugfixes. However, unfortunately one of them introduced a new bug to 5.5.0066 which has been fixed in the later versions. Could you please upgrade to the latest version (currently 5.5.0070) from

Re: [ccp4bb] refmac 5.5.063 vs. 5.5.066

2008-12-19 Thread Pavol Skubak
The latest version with all the bugfixes will of course appear in CCP4-6.1.1. Until then, the latest binaries and source codes are available on the mentioned webpage. Pavol

Re: [ccp4bb] refmac 5.5 error with ARPwARP7.0.1

2008-12-07 Thread Pavol Skubak
Hi Michael, thanks for your report. It turned out that 5.5.0066 has a bug causing crashes. Could you please try the latest version (5.5.0068) and let us know in case the problem would not disappear. Pavol