[ccp4bb] Refmac in i2

2019-05-02 Thread Jonathan Cooper
In the output statistics part of the GUI there is table of mean B-factors, e.g. Chain mean B (No. atoms) AAA 23.6( 2596 )AaA 35.4( 29 )AbA 35.2( 10 )AcA 18.9( 10 )AdA 58.5( 10 )AeA 39.5( 119 )BBB 25.5( 2545 )BaB 42.0( 10 )BbB 46.9( 5 )BcB 37.3( 92 ) There is an A- and a B-chain in the structure,

[ccp4bb] Computational Crystallography Newsletter (CCN) submissions

2019-05-02 Thread Nigel Moriarty
Folks Calling for articles and short communications of interest to structural biologists. The deadline for submission for the July 2019 issue is 20 May 2019. The previous issue is available http://phenix-online.org/newsletter/ and contains the following. January 2019

[ccp4bb] Position Available - Business Development Scientist - MiTeGen

2019-05-02 Thread Benjamin Apker
Dear CCP4 Community, We have an exciting opportunity for an experienced researcher to join our team and help make a meaningful impact on scientific research around the world. The Business Development Scientist will play a key role in driving MiTeGen

Re: [ccp4bb] Linking non-natural nucleotide with other natural nucleotides

2019-05-02 Thread Eleanor Dodson
Yes - this area is a mess. However I got round it to some extent by naming the nucleotide as a standard one ((in your case C) , then adding the heavy atom, and creating the LINK records between that C and the additional atom(s). Probably at deposition the moiety should be renames as 5CM but that