Re: [ccp4bb] defining chiral center in .cif file for ligand atom linked to amino acid side chain

On 05/11/2020 20:26, George Lountos wrote: I wanted to check to see what the proper way to include a chiral center definition to the .cif file. I have a ligand that is covalently attached to a cys side chain and I wanted to adjust the chirality of the atom of the ligand attached to the

[ccp4bb] defining chiral center in .cif file for ligand atom linked to amino acid side chain

Hi everyone: I wanted to check to see what the proper way to include a chiral center definition to the .cif file. I have a ligand that is covalently attached to a cys side chain and I wanted to adjust the chirality of the atom of the ligand attached to the Cys sulfur but I only have the .cif

[ccp4bb] CCP4 Online at risk

Dear ccp4bb, Just to let you know that the CCP4 Online service (https://ccp4online.ccp4.ac.uk) is currently 'at risk'. If you notice that you fail to connect to the server, refreshing your browser is usually enough to get things working again. This is due a recent firewall upgrade. It should

[ccp4bb] NIH-funded Postdoc in Membrane Protein Structural Biology, Nebraska, USA

Dear ccp4 Community, I would like to bring your attention to an open NIH-funded Postdoc position in the Vecchio Lab at the University of Nebraska-Lincoln. We are looking for someone with experience in membrane protein biochemistry and structural biology techniques.

Re: [ccp4bb] how to calculate the volume of a small molecule

Dear Vincent and Harry, Thank you for your information and suggestion! Kemin On 11/5/20, 3:44 AM, "CCP4 bulletin board on behalf of Harry Powell - CCP4BB" wrote: Hi If it’s just organic, use 18 Å^3 per non-hydrogen - e.g. glucose (C6H12O6) occupies around 12*18 ~= 216Å^3. Atoms

[ccp4bb] PhD positions available

Hi everyone, I have three PhD opportunities available in my lab for students interested in structural biology. If you know anyone who might be interested please pass this message on to them! The Living Systems Institute where I am based has funded positions available in our PhD programme

[ccp4bb] Webinar introducing the Diamond II project and cool talk on what to expect from biological X-ray Imaging with these new machines!

Dear All, very excited to invite you to join this webinar next Tuesday 10th November at 14:00 (UK time) which will briefly introduce the upgrade programme for Diamond - ‘Diamond-II’ which will provide a far brighter and coherent source providing the biology community with exciting

[ccp4bb] Academic Structural Biology Postdoc position at Yale

Dear CCP4 list manager, Could you please post that attached pdf file describing a postdoctoral position in my lab for individual with structural biology experience? Thanks so much, Karen Karen S. Anderson, Ph.D. Professor of Pharmacology and Molecular Biophysics & Biochemistry Co-Director

[ccp4bb] open Structural Biologist position at Rheos Medicines

Hello Bulletin Board members. We are seeking to expand our structural biology group at Rheos Medicines in Cambridge, MA. Please see the details here: https://rheosrx.com/careers/job-detail/?job=364979 and feel free to reach out to me if you are interested or if you know someone that may be.

[ccp4bb] academic-industrial postdoctoral position in Seville, Spain

Dear Colleagues, The CABD in collaboration with CITRE, a Bristol-Myers Squibb Company is offering a postdoctoral position on the groundbreaking topic of targeted protein degradation, in the context of an academic-industrial research collaboration. The project involves studying and understanding

Re: [ccp4bb] how to calculate the volume of a small molecule

Hi If it’s just organic, use 18 Å^3 per non-hydrogen - e.g. glucose (C6H12O6) occupies around 12*18 ~= 216Å^3. Atoms like S and P add a little more, but for mental artihmetic and a quick estimate it doesn’t amount to a hill of beans. H > On 5 Nov 2020, at 09:25, vincent Chaptal wrote: > >

Re: [ccp4bb] how to calculate the volume of a small molecule

Dear Kemin, I use VOIDOO from Upsala. Best Vincent Le 04/11/2020 à 21:05, Tan, Kemin a écrit : Dear all, Is there a way to calculate or estimate the volume of a small molecule within CCP4 or with other programs? Thanks, Kemin