[ccp4bb] postdoc in protein-protein docking modeling

2019-04-19 Thread Kihara, Daisuke
Dear colleagues, One postdoctoral position is available in the area of structural bioinformatics immediately in the lab of Daisuke Kihara at Department of Biological Sciences and Computer Science at Purdue University, West Lafayette, IN, USA. The primary area sought is the development of

Re: [ccp4bb] pointless warning - space group ambiguity

2019-04-19 Thread Kay Diederichs
Dear Almudena, what do you mean with "XDS get stalled"? Does it print an error message, and if so, which? Your description makes me think that you may want to try space group 23 (I222) or 24 (I212121) since Pointless says it may be I-centered. In XDS.INP, you just enter SPACE_GROUP_NUMBER=23

Re: [ccp4bb] pointless warning - space group ambiguity

2019-04-19 Thread Eleanor Dodson
Can you attach the pointlesslog and maybe also aimless & ctruncate logs? ctruncate will check for any non-translational vector.. But missing I cemntring shouldnt stop you solving the structure? If it is real you would hope to find two solutions seperated by 1/2, 1/2, 1/2. Eleanor On Fri, 19 Apr

Re: [ccp4bb] pointless warning - space group ambiguity

2019-04-19 Thread Diana Tomchick
You didn’t tell us what method and computer programs you are using for phasing. If you are using Molecular Replacement and not getting a solution, it could be that your model isn’t close enough to the actual solution. Diana ** Diana R. Tomchick

[ccp4bb] pointless warning - space group ambiguity

2019-04-19 Thread Almudena Ponce Salvatierra
Dear all, I'm processing my data with XDS and with DIALS and at first sight it would seem reasonable to assume that the Laue group is either orthorrombic or monoclinic. Autoprocessing brings me always to P212121, but I have tried also to solve the structure in space groups 1, 3, 4, 16, 17 and