[ccp4bb] Scientist position available at Monte Rosa Therapeutics

2021-02-09 Thread Jennifer Tsai
Monte Rosa Therapeutics is seeking a talented and highly motivated Structural Biologist to join the Biomolecular Sciences group. This is an exciting opportunity to join a team responsible for biochemical and biophysical characterization and screening of novel small molecule degraders. The successfu

[ccp4bb] Postdoctoral Position Available at Rutgers University

2021-02-09 Thread Matthew Neiditch
An NIH-funded postdoctoral position is available at Rutgers University - New Jersey Medical School to study the structure and function of novel bacterial cytidine deaminases and their regulatory RNAs. In addition to a Ph.D., the ideal candidate will have a strong background in macromolecular X-r

[ccp4bb] Postdoctoral position in Bethesda, MD, US

2021-02-09 Thread Marzena Pazgier
A postdoctoral position is available immediately to participate in an inter-disciplinary research program in structural immunology at the Uniformed Services University of the Health Sciences (USU) in Bethesda, MD. Candidates are expected to work on ongoing research projects in structural biology wi

[ccp4bb] Job advert for a structural biology/biophysics role in PROTAC drug discovery

2021-02-09 Thread David Zollman (Staff)
Dear all, We have a particularly exciting job opportunity in our lab, the PROTAC drug discovery collaboration between the group of Prof Alessio Ciulli at the University of Dundee and Boehringer Ingelheim. Our group are world leaders in the field of PROTACs, which has rapidly become one of the

Re: [ccp4bb] RCrane in Coot 0.8.9.2 for Mac

2021-02-09 Thread Tim Gruene
Hi Almudena, in my Coot 0.9.2, the Calculate menu has the entry 'RCrane launch' as second last subentry. Best, Tim On Tue, 9 Feb 2021 13:43:25 + Paul Emsley wrote: > On 09/02/2021 13:33, Almudena Ponce Salvatierra wrote: > > > > I have Coot 0.8.9.2 installed on macOS Catalina. I would l

Re: [ccp4bb] RCrane in Coot 0.8.9.2 for Mac

2021-02-09 Thread Almudena Ponce Salvatierra
Found it! It is under the "Calculate" menu! Thank you Paul for answering! Best, A El mar, 9 feb 2021 a las 14:44, Paul Emsley () escribió: > On 09/02/2021 13:33, Almudena Ponce Salvatierra wrote: > > > > I have Coot 0.8.9.2 installed on macOS Catalina. I would like to launch > RCrane, but I c

Re: [ccp4bb] stop REFMAC5 writing hydrogens to MMCIF file?

2021-02-09 Thread Paul Emsley
On 09/02/2021 13:33, Eleanor Dodson wrote: Yes, I agree.. garish? Rob Nichols?? Can you email this to them directly? E Yeah, I never liked that colour scheme either. Maybe this is a job for Super-Gemmi! Paul. To unsub

Re: [ccp4bb] RCrane in Coot 0.8.9.2 for Mac

2021-02-09 Thread Paul Emsley
On 09/02/2021 13:33, Almudena Ponce Salvatierra wrote: I have Coot 0.8.9.2 installed on macOS Catalina. I would like to launch RCrane, but I can't find it under "Extensions". Does anybody know whether there is a way I can make it work on the version of Coot, or should I rather uninstall it a

Re: [ccp4bb] stop REFMAC5 writing hydrogens to MMCIF file?

2021-02-09 Thread David Lawson (JIC)
…and make this the default 😉 Garib and Rob cc’d… Dave --- Prof. David M. Lawson Department of Biological Chemistry, John Innes Centre, Norwich, NR4 7UH, UK. Tel: +44-(0)1603-450725 Web: https://www.jic.ac.uk/people/david-lawson Email: david.law...@jic.ac.uk From: Ele

[ccp4bb] RCrane in Coot 0.8.9.2 for Mac

2021-02-09 Thread Almudena Ponce Salvatierra
Hello everybody, I have Coot 0.8.9.2 installed on macOS Catalina. I would like to launch RCrane, but I can't find it under "Extensions". Does anybody know whether there is a way I can make it work on the version of Coot, or should I rather uninstall it and look for another one? Any help will be

Re: [ccp4bb] stop REFMAC5 writing hydrogens to MMCIF file?

2021-02-09 Thread Eleanor Dodson
Yes, I agree.. garish? Rob Nichols?? Can you email this to them directly? E On Tue, 9 Feb 2021 at 13:28, David Lawson (JIC) wrote: > Hi Eleanor, > > > > I’m glad it’s not just me then. > > I too tried the grepping option, but my recollection was that that didn’t > go too well either. It doesn’t

Re: [ccp4bb] stop REFMAC5 writing hydrogens to MMCIF file?

2021-02-09 Thread David Lawson (JIC)
Hi Eleanor, I’m glad it’s not just me then. I too tried the grepping option, but my recollection was that that didn’t go too well either. It doesn’t help that I’m not very comfortable with MMCIF format yet… Also, I forgot to mention, but was just reminded that you can change “Output calculated

Re: [ccp4bb] stop REFMAC5 writing hydrogens to MMCIF file?

2021-02-09 Thread Eleanor Dodson
I took this up with pdbe but what with lock down and all I am not too sure what the decision was ( or whether there was one) maybe you could start a chat to the pdbe lot Our code was d- 1292109592. It was a mess - tony Wilkinson was depositing the data from the labs, I had been doing refinement fr

[ccp4bb] stop REFMAC5 writing hydrogens to MMCIF file?

2021-02-09 Thread David Lawson (JIC)
Hi All, By default, when you run REFMAC5 run through CCP4I2, it uses riding hydrogens during refinement. It then writes out a PDB file without the hydrogens and an MMCIF file that retains these hydrogens. In the latter, you end up with mostly hydrogens with unit occupancy and a few with zero oc

[ccp4bb] Fwd: Fw: Human Resources Advertisement: Lecturer/Lecturer below the bar in Protein Biochemistry

2021-02-09 Thread Tewfik Soulimane
Dear all I'd like to draw attention of interested candidates to the opportunity as listed below. We are targeting excellent candidates in protein biochemistry, bioinformatics or bioprocessing. Yours sincerely *Professor Tewfik Soulimane* Head of School, Natural Sciences Head of Departm

Re: [ccp4bb] Fixing Modified residue

2021-02-09 Thread Paul Emsley
On 09/02/2021 07:10, Arunabh Athreya wrote: Hi I have been facing a similar problem with a backbone thiocarbonylated L-serine residue (here's the SMILES: N[C@@H](CO)C(O)=S  ) This residue was not present in the pre-existing library, so I did the following: 1. Used AceDRG to draw the struct