[ccp4bb] issues with TLS refinement resolved

2009-05-22 Thread Seema Mittal
Hi All, Thanks for all the help in fixing the refmac TLS refinement issue. The new refmac (5.5.0093) is working well so far. Best, Seema Mittal On May 22, 2009, at 8:56 AM, Ronan Keegan wrote: Hi Seema and Ben, Garib has produced a fix for the TLS problem and put the update on his re

[ccp4bb] issues with TLS refinement

2009-05-21 Thread Seema Mittal
The issue is: While running tls and restrained refinement, the program doesn't perform the given no. of tls refinements. For e.g., if you ask it to perform 10 TLS and 5 restrained refinement rounds, it'll run may be 2 or 3 rounds of TLS and then jump to restrained refinement rounds and fi

Re: [ccp4bb] issues with TLS refinement

2009-05-21 Thread Leonard Thomas
Not sure if this is your problem, but I had a different issue with using this version of refmac5 from the OSX binaries off the CCP4 website. I upgraded to the latest version off of Garbs website and everything seems to be back normal or a least consistent across various platforms. Leona

Re: [ccp4bb] issues with TLS refinement

2009-05-21 Thread Roberto Steiner
I might be wrong but it seems Garib has implemented some sort of line minimization for the tls part which causes the observed behavior. Garib? Roberto On 21 May 2009, at 00:39, Dima Klenchin wrote: The issue is: While running tls and restrained refinement, the program doesn't perform

Re: [ccp4bb] issues with TLS refinement

2009-05-20 Thread Dima Klenchin
The issue is: While running tls and restrained refinement, the program doesn't perform the given no. of tls refinements. For e.g., if you ask it to perform 10 TLS and 5 restrained refinement rounds, it'll run may be 2 or 3 rounds of TLS and then jump to restrained refinement rounds and finish

[ccp4bb] issues with TLS refinement

2009-05-20 Thread Seema Mittal
Hi All, We recently upgraded to ccp4suite 6.1.1 version and have been experiencing some issues while running refmac_5.5.0088 (for tls refinement) through this ccp4 interface. We use these softwares through sbgrid. I would really appreciate any help to troubleshoot this issue. The issue