[ccp4bb] Fragmented Chains after Automated Rebuilding

2022-10-05 Thread Shawn Rumrill
Hello All, I am trying to solve a protein/nucleic acid (na) structure. The density for na is poor and MR is less straightforward, so I used ModelCraft for automated phasing, rebuilding and improving the electron density. It has built a partial model for the complex, which looks somewhat reasona

Re: [ccp4bb] EDR (Sophos) and CCP4 compatibility

2022-10-05 Thread dinesh jangra
Interested, but I am from Pharmaceutical Sciences background  Sent from Yahoo Mail on Android On Tue, 4 Oct 2022 at 10:19 pm, Andrew Purkiss wrote: Hi Mark and Dave (who just beat me to it), Generally Sophos has been fine. However, I did get the following a  couple of weeks ago which So

Re: [ccp4bb] PAIREF, Anisotropy and STARANISO -- a small correction

2022-10-05 Thread Gerard Bricogne
Dear Petr and CCP4BB readers, A lapse of attention led to a possibly obscure sentence: in the first paragraph of our answer, the sentence "The input reflections to STARANISO that are not present ..." should, for the avoidance of doubt, read: "The input reflections to STARANISO that are not pr

Re: [ccp4bb] PAIREF, Anisotropy and STARANISO

2022-10-05 Thread Gerard Bricogne
Dear Petr, Thank you for your reply and for inviting us to address some points! Please find our replies below, "interleaved" with your questions. On Tue, Oct 04, 2022 at 04:41:58PM +, Petr Kolenko wrote: > Dear Gerard, > A great remark! Thank you for starting this thread separately. I t

[ccp4bb] AW: [ccp4bb] PAIREF, Anisotropy and STARANISO

2022-10-05 Thread Schreuder, Herman /DE
Dear Martin, The concept of systematic absences is usually used for absences caused by the crystal packing, e.g. glide planes etc. I guess that what you meant are absences due to anisotropic cutoff. In the past, to get an Rmerge is low as possible, people would cut there data at 2sigma, or even

Re: [ccp4bb] PAIREF, Anisotropy and STARANISO

2022-10-05 Thread Martin Malý
Dear colleagues, Firstly, I would like to thank Clemens, Claus, Ian and Gerard for the very interesting analysis and remarks! Similarly to Frank, I am wondering "whether any refinement program properly extracts the high-resolution signal when there's anisotropy". Poor completeness in high re

[ccp4bb] Research Technician position at ALPX

2022-10-05 Thread Irina Cornaciu-Hoffmann
Dear All, We have an opening at ALPX for a Research Technician. Please see more details below. If you have any questions, please get in touch. With kind regards, Irina Cornaciu-Hoffmann *Irina Cornaciu-Hoffmann, Ph.D.*** Co-founder and CEO ALPX corna...@al

Re: [ccp4bb] PAIREF, Anisotropy and STARANISO

2022-10-05 Thread Frank von Delft
Gerard, that's fascinating, thanks for the explanation. I conclude in summary:  nobody (including you) yet knows whether any refinement program properly extracts the high-resolution signal when there's anisotropy. My (similar) question a few days ago was: /"Is that because of the practicalit

Re: [ccp4bb] PAIREF, Anisotropy and STARANISO

2022-10-05 Thread vincent Chaptal
Dear Clemens, Claus, Ian and Gerard, since you ask for crowd sourcing, I'll give you my thoughts. I think the term "anisotropy" is used in many ways to describe very different events. It actually means the opposite of isotropy, so it is coviniently used to describe a difference in resolution li