[ccp4bb] Position in CCP4 Core Group

Dear All, A software engineer position is available in CCP4 Core group in Rutherford Appleton Laboratory, Oxfordshire, UK. Please see details here: https://careersportal.co.uk/UKRI-careers/jobs/software-engineer-computational-scientist-3024 and let know anybody who may be interested. Many

[ccp4bb] LN2 cryocooling system - manufacturers

Dear all, By looking for manufacturers of LN2 cryocooling systems for in-house single-crystal X-ray diffractometers, I seems that Oxford Cryosystems is the only company nowadays providing such systems in Europe. In the past, we used to have such systems of Bruker and Oxford Instruments, but

[ccp4bb] Structure prediction - waiting to happen

Hi River, What's in a name? That which we call a predicted structure By any other name would still be uncertain until validated experimentally Cheers, Quyen > On Apr 3, 2023, at 2:12 PM, Xiao, Chuan wrote: > > You raised a very good question: why we are asking this question now? Maybe > the

Re: [ccp4bb] [External] Re: [ccp4bb] Structure prediction - waiting to happen

You raised a very good question: why we are asking this question now? Maybe the answer is somewhere on the fact that Alphafold is a “revolution” in the prediction field (borrow the term from resolution revolution in cryo-EM). Anyway, when reading all these discussions, it made me think how I

Re: [ccp4bb] new PDB file format

Hi Robbie, Well, there is 1SRX (https://pdbe.org/1srx)) from 1976, CA-only, coordinate precision 0.05Å. The explanation is in the paper: "The maps were interpreted in terms of the known amino-acid sequence (2) and a skeletal model of one molecule was built with the Kendrew-type models using

Re: [ccp4bb] new PDB file format

Thanks for reliably tickling our funny bones. BS From: James Holton Sent: Monday, April 3, 2023 11:11 AM To: CCP4BB@JISCMAIL.AC.UK Cc: Sweet, Robert Subject: Re: [ccp4bb] new PDB file format Thanks to everyone for being such good sports! It is good to

Re: [ccp4bb] Issue about cif file of ligand

Wonderful! Grade solves my problem, thank you Pietro and Robbie! Cheers On Mon, Apr 3, 2023 at 12:38 PM Robbie Joosten wrote: > Dear Ning, > > There is a separate bulletin board for anything Phenix. You can try the > CCP4 program AceDRG to generate restraint from a SMILES string. > > Cheers, >

Re: [ccp4bb] Issue about cif file of ligand

Dear Ning, There is a separate bulletin board for anything Phenix. You can try the CCP4 program AceDRG to generate restraint from a SMILES string. Cheers, Robbie > -Original Message- > From: CCP4 bulletin board On Behalf Of Ning Li > Sent: Monday, April 3, 2023 18:17 > To:

[ccp4bb] Issue about cif file of ligand

Hi everyone, My crystal structure contains a ligand and I generated the cif file of the ligand using phenix.elbow from the smiles file of the ligand. The ligand was drawn and the smiles file was generated from https://pubchem.ncbi.nlm.nih.gov//edit3/index.html. My problem is that the double bond

Re: [ccp4bb] new PDB file format

WHAT_CHECK has a check for suspiciously rounded coordinates. I have never seen it triggered.Cheers,RobbieOn 3 Apr 2023 10:11, James Holton wrote: Thanks to everyone for being such good sports! It is good to know that there is still room for good-natured funny in what can be

Re: [ccp4bb] new PDB file format

Thanks to everyone for being such good sports! It is good to know that there is still room for good-natured funny in what can be stressful times. Truth be told, I actually did do some experiments rounding off PDB coordinates to the nearest A.  You can try it with this one-line shell

[ccp4bb] Postdoctoral position in structure of sugar and phytohormone transporting membrane proteins at Aarhus University, Denmark.

Dear colleagues, Please pass this along anyone who might be interested. Thanks! /Bjørn Postdoctoral position in structure of sugar and phytohormone transporting membrane proteins at Aarhus University, Denmark. online posting: