Re: [ccp4bb] Refmac5 and Pseudo-merohedral twinning

2009-03-12 Thread Pavol
Dear Kim, yes, Refmac handles pseudo-merohedral twinning. The procedure is fully automatic and there is not much to change but the documention can be found here: http://www.ccp4.ac.uk/html/refmac5/keywords/keywords_5_5.html#Twin Pavol

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

2015-01-31 Thread Pavol Skubak
can be achieved by running SAD only (only using the MR model heavy atoms). It differs from case to case. It is usually a good idea to try both approaches if possible. Greetings, Pavol >> From: Nick Huang >> Date: Sat, Jan 31, 2015 at 5:46 PM >> Subject: [ccp4bb] How long do

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
ted from impossible.mtz rather than from scratch, ie from the data only. Obtaining the substructure from scratch might be more difficult. Pavol On Sat, Jan 12, 2013 at 10:50 PM, James Holton wrote: > > Woops! sorry folks. I made a mistake with the I(+)/I(-) entry. They had > the wro

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

Re: [ccp4bb] refmac 5.5.063 vs. 5.5.066

2008-12-19 Thread Pavol Skubak
/refmac/data/refmac_stable/ That should fix the problem (please let us know if it does not) Pavol.

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

[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 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... >

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