[ccp4bb] Save the dates: PSB Symposium "Frontiers in Bioimaging", 1-2 July 2021

2021-04-06 Thread Daouda Traore
Dear all, The Partnership for Structural Biology (PSB), an alliance of research institutes (EMBL, ESRF, IBS and ILL) located in Grenoble, France, is pleased to announce that the PSB Symposium "Frontiers in Bioimaging" will take place on 1-2 July 2021. Registration and programme will be releas

[ccp4bb] Postdoc position UK – deadline April 12

2021-04-06 Thread Panne, Daniel (Prof.)
Dear all, We have an open postdoc position available in our lab at the Leicester Institute for Structural and Chemical Biology, UK. Our group focuses on signal processing on enhancers and how 3D genome organisation contributes to various aspects of genome function. For examples of recent work s

[ccp4bb] Table showing rotational symmetry

2021-04-06 Thread careinaedgo...@yahoo.com
Can anyone send me a table that shows rotational symmetry in all viewing directions for the different crystal systems? I don't have my text book with me and I cannot find that tableThank you Careina. To unsubscribe from th

Re: [ccp4bb] Table showing rotational symmetry

2021-04-06 Thread Jon Cooper
Jeremy Cockcrofts web stuff is quite good: http://pd.chem.ucl.ac.uk/pdnn/symm2/pntgrp1.htm You can click through to the stereograms. Best wishes Jon.C. Sent from ProtonMail mobile Original Message On 6 Apr 2021, 12:34, careinaedgo...@yahoo.com wrote: > Can anyone send me a

[ccp4bb] cryptic error message trying to use LigPlot on an unknown ligand

2021-04-06 Thread Fred Vellieux
Hi folks, I'm trying to run Ligplot on a PDB file that contains a residue with type UNL (Unknown Ligand). I hadn't been using LigPlot for perhaps 2 years now (which means that I had to reinstall, with an expired license, and get familiar with it again). I get the following error message (rath

Re: [ccp4bb] cryptic error message trying to use LigPlot on an unknown ligand

2021-04-06 Thread Robert Healey
Hi Fred, I'm currently making some similar figures and I came across PLIP https://plip-tool.biotec.tu-dresden.de/plip-web/plip/index It doesn't give the 1d plots but it gives a very nice pymol output to make 3d images. Hope that helps, Rob ce On 6/04/2021 15:47, Fred Vellieux wrote: Hi f

Re: [ccp4bb] cryptic error message trying to use LigPlot on an unknown ligand

2021-04-06 Thread Mitchell D. Miller
What about coot? Have a look at https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/files/coot-may-2017-ligands-madrid-mcs2017-csic.pdf pp28-40 and Emsley P. (2017). Tools for ligand validation in Coot. Acta Crystallogr. D73, 203–210. https://doi.org/10.1107/S2059798317003382 https://www.ncbi.n

Re: [ccp4bb] cryptic error message trying to use LigPlot on an unknown ligand

2021-04-06 Thread Bostjan Kobe
Hi Fred Ligplot diagram is part of PDBsum output - maybe that will work for you. Bostjan -- Bostjan Kobe FAA Australian Research Council Laureate Fellow Professor of Structural Biology School of Chemistry and Molecular Biosciences and Institute for Molecular Bioscience (Division of Chemistry an

[ccp4bb] Omit maps in phenix and ccp4

2021-04-06 Thread Hari shankar
Dear All, I have a ligand-protein complex and I wish to calculate different kinds of omit maps (say, composite omit maps, simulated annealing maps, other unbiased fo-fc maps ). I wish to omit the ligand and 3.5 angstrom 3D space around it. I have tried phenix for this purpose but get this error