[ccp4bb] RES: [ccp4bb] Large number of outliers in the dataset

Thank you very much for all comments. Certainly it will help me a lot! I will compare the maps at different resolutions, reprocess the data with another program, looking out the mosaicity and multiplicity, and I will try to use all data if it is possible. Some answers: there is no ice on crystal;

Re: [ccp4bb] ligand with out space group information

Send xaxa2,from my Samsung Galaxy smartphone. Original message From: chemocev marker Date: 3/30/17 9:59 AM (GMT-05:00) To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] ligand with out space group information HiI have model of ligand molecule and it does not open in coot. Its n

Re: [ccp4bb] Proline derivatives

You could try scifinder. Swarna On Wed, Mar 29, 2017 at 6:07 PM, Jan van Agthoven wrote: > Hi Everyone, > Does anyone know what’s the fastest way the find all commercially > available proline derivatives on carbon gamma? > Thanks, > Jan

[ccp4bb] Post-Doctoral position at EMBL Grenoble

A Post-doctoral position is available at the EMBL Grenoble Outstation. Please see https://www.embl.fr/jobs/searchjobs/index.php?ref=GR_00105&newlang=1&b=%2Fjobs%2Fsearchjobs%2Findex.php%3Fsrch_trm%3D%26list%3DGo Best regards Josan -- _

[ccp4bb] Scientist Position: HT crystallography at EMBL Grenoble

Dear colleagues, We are looking for a experienced crystallographer for an Industrial Liaison Scientist position at the EMBL Grenoble Outstation. Those interested please, see the link below. https://www.embl.fr/jobs/searchjobs/index.php?ref=GR_00107&newlang=1&b=%2Fjobs%2Fsearchjobs%2Findex.php%3Fs

[ccp4bb] AstraZeneca postdoc postion

Dear all, We're looking for a talented scientist to join the AstraZeneca Post Doc Programme to study the structure and function of a full-length transcription factor in complex with novel ligands and link this information to broader mode of action studies for active clinical projects. You will w

[ccp4bb] Spam : Re: [ccp4bb] Protein Ligand interaction using SPR technique

Dear Praveen, We have very good experience with protein ligand interaction with Biacore 3000 using CM5 chip. The NTA chip is prone to nonspecific interactions and give erroneous results. However the gold standard is ITC since it is more sensitive than Biacore 3000. One quick note for using Bia

[ccp4bb] Spam : Re: [ccp4bb] Protein Ligand interaction using SPR technique

Debasish Kumar Ghosh CSIR- Senior Research Fellow (PhD Scholar) C/o: Dr. Akash Ranjan Computational and Functional Genomics Group Centre for DNA Fingerprinting and Diagnostics Hyderabad, INDIA Email(s): dkgh...@cdfd.org.in, dgho...@gmail.com Telephone: 0091-9088334375 (M), 0091-40-24749396 (Lab)

[ccp4bb] Ligand electron density

Hi Fellows, due to the change of month on Sa I am releasing already today the first page of an until Sa embargoed reprint on concerns about theoretical principles of electron density reconstruction. The paper is available on my dropbox (full paper after Sa): https://dl.dropboxusercon

Re: [ccp4bb] ligand with out space group information

Dear Paul, a promising way to fix the problem is the program pdbset (or pdbcur), both available with ccp4. You can place the molecule into a P1 cell large enough to hold all coordinates, e.g. from the command line pdbset XYZIN yourbroken.pdb XYZOUT yourfixed.pdb << eof SPACEGROUP P1 CELL 25 25

Re: [ccp4bb] ligand with out space group information

Hi, I had the same problem once. Some chemistry programs are not really good at exporting to pdb. Check the file format definition of pdb files, here: ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions/Format_v33_A4.pdf Most interesting for you is probably pp. 174. Also make sure, there is an "EN