Re: [ccp4bb] SHELXD - Limit Number of CPUs?

Hi Jessica, like most shelx programs, there is a little help message when started without command line options. The option '-tN' sets the number of CPUs to N. If I remember correctly, SHELXD also respects the environment variable OMP_NUM_THREADS. Best, Tim On Wed, 16 Mar 2022 17:21:38 -0700

Re: [ccp4bb] SHELXD - Limit Number of CPUs?

Most cluster queueing systems have a way to limit such things. Which one are you using? You can also set the environment variable OMP_NUM_THREADS to tell SHELXD to limit its CPU usage.  You do this with either: setenv OMP_NUM_THREADS 10 or export OMP_NUM_THREADS=10 on the command line before

Re: [ccp4bb] SHELXD - Limit Number of CPUs?

Hi Jessica, You can use the "cpu" flag. Here is an example: fast_ep cpu=20 sad=fast_dp.mtz ntry=500 In terms of memory usage, I do not know. I hope this helps. Best, Edwin Lazo Structural Biology, National Synchrotron Light Source II Office: 631.344.7247 el...@bnl.gov

[ccp4bb] SHELXD - Limit Number of CPUs?

Hi all, I am wondering if there is a way to limit the number of CPUs that can be used by SHELXD. It seems that this program uses all that are available until it hits the NTRY you specified or it finds a .fin file. Is there a way to limit its CPU and MEM usage? I am running this on a large cluster

Re: [ccp4bb] Fwd: ACA2022: Travel Grant Application Deadline March 31, 2022

This may be a good one for you as well. And they have travel award due mar 31. Yang > On Mar 16, 2022, at 4:04 PM, Anna Gardberg wrote: > > There is a travel award opportunity for students and postdocs to attend ACA > 2022 in Portland, Oregon, July 29 - August 2, 2022. I encourage you to

[ccp4bb] Fwd: ACA2022: Travel Grant Application Deadline March 31, 2022

There is a travel award opportunity for students and postdocs to attend ACA 2022 in Portland, Oregon, July 29 - August 2, 2022. I encourage you to apply! The application deadline closes in two weeks. -Anna S. Gardberg, PhD ACA Meeting Committee Odyssey Pharmaceuticals -- Forwarded

[ccp4bb] Open position: beamline scientist at BM07-FIP2, ESRF

Dear colleagues, The CEA-Grenoble is looking for an experienced crystallographer to oversee the operation of the French CRG beamline FIP2 located at the ESRF. The position is part of the Synchrotron research group of the IBS. BM07-FIP2 has been rebuilt from BM30A-FIP during the EBS machine

Re: [ccp4bb] How to make an isopeptide bond?

Hi Ronnie, you will need to create a dictionary of the link in Jligand or Acedrg (ccp4i2) if we talk about ccp4 programs, and provide this as a LIBIN input in Refmac5. In coot you will need to delete ND2 atom of Asn residue (if your dictionary contains link Lys NZ - Asn CG) and in menu

[ccp4bb] CCP-EM Spring Symposium 3-5th May 2022 **Early Bird Offer Extended to Saturday 19th March**

**Early Bird Offer Extended to Saturday 19th March** *Registration increases by £75 after this date* Dear CCP-EM, CCP-EM are pleased to announce the eighth annual 'CCP-EM Spring Symposium', 3-5th May 2022. The conference aims to provide a forum to highlight state of the art developments in

[ccp4bb] How to make an isopeptide bond?

Dear all, I have a protein structure that has 4 isopeptide bonds (between Lys and Asn pairs). However, I can’t for the life of me figure out a way to model this in in Coot (or by editing the pdb file, or some other method) so that I can refine it properly. Googling it hasn’t really helped much

[ccp4bb] Reminder: CBMS Lecture Series - Dr Sibel Yalcin - March 16, 13:30, DST

Please join us…… Sidel Yalcin Yale University WEDNESDAY, MARCH 16, 13:30 (DST) "Electrogenetic Control of Bacteria via Protein Nanowires Capable of Ultrafast Charge Transport and Storage for Next-Generation of Bioelectronic Materials and Devices" Register in advance for this

[ccp4bb] Postdoctoral position in the MRC Laboratory of Molecular Biology

Our group has an opening for a postdoctoral fellow to be funded on a Cancer Research UK programme aimed at understanding lysosomal control of cell proliferation and stress responses in cancer cells. The programme involves cryo-electron microscopy, X-ray crystallography, H/D exchange mass

[ccp4bb] Molecular Dimensions: Technical Sales Specialist Vacancy, March 2022

Molecular Dimensions: Technical Sales Specialist Vacancy Are you an experienced structural biologist looking for an opportunity outside academia? Do you have sales experience or detailed structural biology product understanding? Do you want to work for one of the UK’s fastest growing life