[ccp4bb] Postdoctoral position at ICTER in Warsaw, Poland

2022-07-14 Thread Humberto Fernandes
Dear all A second postdoctoral position in the Integrated Structural Biology lab at The International Center for Translational Eye Research (ICTER) in Warsaw, Poland, is available for highly motivated biologists, biochemists, or structural biologists, funded until the end of 2023. The position

Re: [ccp4bb] find clashes

2022-07-14 Thread Eleanor Dodson
Sorry to go back in time but distang is useful. You set radii Example: distang xyzin CCP4_JOBS/job_100/100_adam_xyzout_coot_rebuild_1.pdb RADI CA 1 end will give all CA withion 2A of each other distang xyzin CCP4_JOBS/job_100/100_adam_xyzout_coot_rebuild_1.pdb end Will give all C N O S

Re: [ccp4bb] find clashes

2022-07-14 Thread Kay Diederichs
Hi Henrike, I use CCP4's "contact" program: #!/bin/bash # find bad contacts: list all CA-CA distances < 3.8A between non-adjacent residues # in a well-folded protein, these should be very rare (1 contact in 1000 residues) # KD 20.12.21 grep CA $1 > /tmp/temp.pdb contact xyzin /tmp/temp.pdb <

[ccp4bb] find clashes

2022-07-14 Thread Henrike Wagler
Dear all, We are looking into a way to find clashes / bumps between protein chains (closer than van der Waals contacts). Ideally, we would like to that with a script, for example, reading in a pdb file, and giving back the number of clashes. Of course, this is possible within Coot or PyMol,

[ccp4bb] CCPBioSim Training Week

2022-07-14 Thread Sarah Fegan - STFC UKRI
Hi all, We are pleased to announce that applications are now open (until 15 August) for the CCPBioSim Training Week. The training will take place 19-23 September 2022 as a hybrid event in Leeds (UK) and online. The target audience is Masters and PhD students, but everyone is welcome to apply

[ccp4bb] Exonuclease resistant ssRNA

2022-07-14 Thread Srinivasan Rengachari
Dear all, I am trying to reconstitute a 5' to 3' exonuclease bound to substrate RNA for structural studies. For this, I would like to synthesize a 40nt ssRNA containing a modified residue will inhibit the exonuclease activity eg: at position 20. I could find from the literature that using

Re: [ccp4bb] Help with One dimensional electron density calculation

2022-07-14 Thread Paul Emsley
On 13/07/2022 19:18, Ravikumar wrote: I would like to calculate One-dimension electron density profiles of the different number of ions bound to an ion channel. Are there any programs in CCP4/ Phenix which can do the same job as the MAPMAN (UPPSALA electron density server) program to

Re: [ccp4bb] Help with One dimensional electron density calculation

2022-07-14 Thread Martyn Winn - STFC UKRI
Hi, It’s not clear why you don’t use MAPMAN if that does what you want. If availability is the problem, it is still here https://github.com/martynwinn/Uppsala-Software-Factory If you are prepared to do some Python, then 2 other options: https://mrcfile.readthedocs.io/en/latest/readme.html