[ccp4bb] Senior Principal Scientist Position at Sanofi US

Senior Principal Scientist, Protein Engineering, Biologics Research Sanofi Framingham, MA, US (Formerly Sanofi Genzyme) Apply here:

Re: [ccp4bb] HKL to mtz

You know, after f2mtz you can often have an mtz file with an unconventional ASU setting or unknown sort order. This breaks certain programs. So, I always run the result of f2mtz through a do-nothing run of the program called "CAD". Even if you don't tell it to do anything CAD always produces a

[ccp4bb] Job opening at the Albany College of Pharmacy and Health Sciences

Dear colleagues, Please forward the following open position in molecular and structural biology to potential candidates. https://employment.acphs.edu/postings/490 Thank you. Manish Manish B. Shah, Ph.D. Assistant Professor Department of Pharmaceutical Sciences Albany College of

Re: [ccp4bb] HKL to mtz

Hello, Using Combat followed by Scala in CCP4 works well with as input the .HKL from XDS. or, Pointless-Aimless-Ctruncate with which it is also easy to exclude batches . best greetings, Ruud On 6/10/17 05:01, ameya benz wrote: Hi, I want to convert HKL file to mtz. I tried using F2mtz but

Re: [ccp4bb] HKL to mtz

Is your HKL file unmarked scaled data from XDS? If so read it directly into the Data Reduction task (pointless / aimless truncate) to produce a merged mtg file. If the data is already merged, then f2mtz can convert it to an mtg Eleanor On 6 October 2017 at 07:05, Ruud Hovius

Re: [ccp4bb] HKL to mtz

Note that Combat and Scala are both obsolete ccp4i2 has useful tasks for importing unmerged data (Data reduction) or merged data (Import merged data) from various formats Phil > On 6 Oct 2017, at 07:05, Ruud Hovius wrote: > > Hello, > > Using Combat followed by Scala

[ccp4bb] Off topic: Anyone still using Oxford Cryosystems Cryostream 600 series?

Dear colleagues, Anyone still using Oxford Cryosystems Cryostream 600 series? We would like to know if there is interest in a computer program to control these units via a rs232 connection. We are implementing this in our home source. For data collection, the program allows automated shutdown

[ccp4bb] Creating a covalent bond

Dear CCP4 BB, We solved one co-crystal structure of a protein and a compound. We found this compound could covalently modify an asparate residue of this protein. A covalent bond formed between a oxygen atom of Asp carboxyl group and a carbon atom of that compound. Does anyone knows how to

[ccp4bb] Beamtime @ SLS

=== SYNCHROTRON BEAM TIME FOR MACROMOLECULAR CRYSTALLOGRAPHY AT SLS === Proposal application deadline: Sunday, October 15, 2017 Periods: January 1, 2018 - June

Re: [ccp4bb] HKL to mtz

pointless -c xdsin XDS_ASCII.HKL hklout xds_ascii.mtz aimless hklin xds_ascii.mtz hklout merged.mtz << eof scales unity eof should do it - is how I usually do this & it also gives a nice merging report... Best wishes Graeme From: CCP4 bulletin board

Re: [ccp4bb] Creating a covalent bond

The easy way is Coot Extensions Link two atoms which should create a Link record in the pdb. I think the better way is use jligand which creates a full dictionary describing the particular link with proper restraints. Load your ligand, load the Asp monomer link the two atoms in question create

Re: [ccp4bb] Creating a covalent bond

If you feed it into REFMAC with review restraints mode - it will create a bond between two atoms within bonding distance and write a LINKR record into the output PDB. You can then use that coordinate file and the LINK dictionary to refine the model There are other ways using the

Re: [ccp4bb] Creating a covalent bond

Dear Jiyong Su, The go-to program for this is currently jligand from CCP4. To define a link you load both compounds (ASP and your thing), delete the leaving atoms (don't forget the hydrogens), define the bond (right click to change the bond order if needed). Then you can save the definition

[ccp4bb] EBI moving to HTTPS access

Hi CCP4BB In December all access to EBI will be over HTTPS only. Users who visit the www.ebi.ac.uk web page over HTTP will be seamlessly redirected to HTTPS. However, we are aware that this redirect may cause issues for programmatic access and you may find that you