[ccp4bb] Reminder - Research engineer position at FragMAX, MAX IV

Dear all, This is a reminder about an open Research Engineer position at the FragMAX fragment screening facility at MAX IV Laboratory (Lund, Sweden). The application deadline is February 13th 2024. You can find more information about the position and instructions about how to apply here:

[ccp4bb] Structure Meets Function #30

Dear All, Register now for the 30th edition of the Instruct-ERIC Structure Meets Function webinar series, taking place 14:00 GMT on 13 February. Register Here. Structure Meets Function

[ccp4bb] program to complete (or to change) side chains to specific rotamers

Dear all, As I cannot find by myself, maybe someone can indicate here. I would like a program, command line - not gui, that I would simply indicate residues and the desired rotamer, and so it will change the coordinate file to complete/change side chains accordingly, say, somehow

[ccp4bb] Hiring a PDRA on enzymology/structural biology in St Andrews, Scotland

Dear CCP4 community I am recruiting a PDRA to work on extracellular enzymes from Pseudomonas aeruginosa and other microbes. Advert below for a 3y BBSRC funded post: https://www.vacancies.st-andrews.ac.uk/Vacancies/J/7261/19/418866/889/research-fellow-ar2949hm The postdoctoral fellow will be

Re: [ccp4bb] program to complete (or to change) side chains to specific rotamers

Hi Jorge, it'd take about 1 hour of my time to put together a cctbx-based script to do that, or about 2 hours to make an end-user program in Phenix that'll be available in tomorrow's build. But I'm not sure how of general interest this might be to warrant investing time into this. So here is an

[ccp4bb] Calculation of energetics for many mutations

Hi all, I'm looking for some suggestions for calculating energetics for an existing ligand bound protein structure. There are many mutations/combination of mutations within the ligand binding pocket that we'd like to make and then calculate energetics for all of them. Please let me know if

[ccp4bb] Postdoctoral position at the Karolinska Institute, Stockholm

A highly motivated, skilled and experienced post-doctoral research fellow in protein production/structural biology is needed to work at SGC-Karolinska in our IMI (EU and Pharma) funded EUbOPEN project. You will be part of a collaborative research environment, driving the characterization of

[ccp4bb] Two Higher Scientific Officer positions in protein purification available at ICR

The Institute of Cancer Research (ICR), London, is one of the world’s most influential cancer research institutes, with an outstanding record of achievement dating back more than 100 years. We provided the first convincing evidence that DNA damage is the basic cause of cancer, laying the

Re: [ccp4bb] Crystallizing a tough target

Hi Kavya 1. Make a seed stock from the globules or anything else that you think might be crystalline, and recreen. In other words, you should add your seed stock to *random screens* (not optimization experiments). There could be many conditions that are in the metastable zone of the phase

Re: [ccp4bb] program to complete (or to change) side chains to specific rotamers

Hey Jorge, Did you know coot can be scripted and run without the gui?  In general, all you need is to record a session and then edit the session file.  A shell script for doing something similar to what you want would look like this: #! /bin/tcsh -f # # set pdbfile = wrong.pdb set mapmtz =