[ccp4bb] job openings at NIH

2022-11-16 Thread Elmlund, Hans (NIH/NCI) [E]
In my group, we currently have an opening for a permanent staff scientist and a postdoctoral research fellow. Staff scientist position: https://www.training.nih.gov/jobs/view/_10/10103/SSPEMIPAD_10262022 This is to carry out development of algorithmic solutions to address the increasing demand

[ccp4bb] Fw: CBMS Lecture Series - David Harper - "Engineered Carbon Materials Derived from Lignin for Energy Storage" - TODAY !!!!! November 16, 13:30 (EST - NYC time zone)

2022-11-16 Thread Stojanoff, Vivian
You are cordially invited to join the Center for Biomolecular Structure Lecture Series ……….. David P. Harper Center for Renewable Carbon, The University of Tennessee WEDNESDAY, November 16, 13:30 (EST) "Engineered Carbon Materials Derived from Lignin for Energy Storage" Register in ad

Re: [ccp4bb] hydrogens?

2022-11-16 Thread John R Helliwell
Dear Dr Peligro, I imagine this evaluation review of protonation prediction that we published will be of interest:- https://www.tandfonline.com/doi/abs/10.1080/08893110903213700 If you don’t have access to this article (ie it is behind a paywall) perhaps we can dialogue offline… Best wishes, Jo

Re: [ccp4bb] hydrogens?

2022-11-16 Thread David A Case
On 11 Nov 2022, 19:46, Murpholino Peligro wrote: Can hydrogens be added in a pH/pka-dependent manner? Something like this (https://server.poissonboltzmann.org/) but get a pdb file ready for phenix.refine/buster/refmac? You might want to try http://newbiophysics.cs.vt.edu/H++/. It outputs an u