On 29 Jan 2018, at 19:06, Garib Murshudov <[log in to unmask]> wrote:

Yes, it should be as simple as this. But first let me test and see what is the problem.

Regards

Garib

On 29 Jan 2018, at 17:48, Maria Håkansson <[log in to unmask]> wrote:

Hi Garib,

Usually I update from ccp4. 

But I guess if it just to replace the refmac file in the bin directory under ccp4-7.0

I think I can manage. Is it so?

Best,

Maria

Maria Håkansson, PhD, Crystallization Facility Manager
Principal Scientist

SARomics Biostructures AB
Medicon Village
SE-223 81 Lund, Sweden

Mobile: +46 (0)76 8585706
Web: www.saromics.com

On 29 Jan 2018, at 18:43, Garib Murshudov <[log in to unmask]> wrote:

Thank you. 

Do you usually update from ccp4 or you can copy binary file if I send you?

Regards

Garib

On 29 Jan 2018, at 17:42, Maria Håkansson <[log in to unmask]> wrote:

Hi Garib,

It says: Refmac version 5.8.0189 : 21/09/17

Best regards,

Maria

Maria Håkansson, PhD, Crystallization Facility Manager
Principal Scientist

SARomics Biostructures AB
Medicon Village
SE-223 81 Lund, Sweden

Mobile: +46 (0)76 8585706
Web: www.saromics.com

On 29 Jan 2018, at 18:40, Garib Murshudov <[log in to unmask]> wrote:

Hi Maria,

What is the refmac version? It should be on the top of the log file.

Regards

Garib

On 29 Jan 2018, at 17:03, Maria Håkansson <[log in to unmask]> wrote:

Hi,

I have a question regarding the automatic restraints in Refmac5 and CCP4Interface 7.0.050.

For a few years I have relied on automatic restraints settings in the CCP4I interface which

usually resulted in r.m.s. bond deviations of about 0.02 Å and good convergence of refinement (lower

R-factors). The last few months this have not been the

case. In structure after structure in different projects we get consistently r.m.s. deviations of 0.03 Å and more

and lacking or worse convergence. This is not a huge problem since you can get around it by using user 

set weighting terms. Still it is annoying.

Anyone experiencing the same?

Best regards,

Maria

 

Maria Håkansson, PhD, Crystallization Facility Manager
Principal Scientist

SARomics Biostructures AB
Medicon Village
SE-223 81 Lund, Sweden

Mobile: +46 (0)76 8585706
Web: www.saromics.com

Dr Garib N Murshudov
MRC-LMB
Francis Crick Avenue
Cambridge 
CB2 0QH UK
Web http://www.mrc-lmb.cam.ac.uk, 
http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/

Dr Garib N Murshudov
MRC-LMB
Francis Crick Avenue
Cambridge 
CB2 0QH UK
Web http://www.mrc-lmb.cam.ac.uk, 
http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/

Dr Garib N Murshudov
MRC-LMB
Francis Crick Avenue
Cambridge 
CB2 0QH UK
Web http://www.mrc-lmb.cam.ac.uk, 
http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/