[ccp4bb] using chooch

Grr - stuck at home - what is f' and f' for Br??? All nicely tabulated on my desktop but not here.. So use chooch.. but it grumbles about file name null How can I make it happy? Any help gratefully received Eleanor eleanor@wombat cysbfull % chooch -e Br -e 0.92 ==

Re: [ccp4bb] using chooch

Dear Eleanor, not sure how to make Chooch happy, but maybe Ethan Merrit can make you happy: there is his excellent server for the anomalous signal for X-ray scattering at http://skuld.bmsc.washington.edu/scatter/ When you choose Br instead of Grr, you find http://skuld.bmsc.washington.edu/scatter

Re: [ccp4bb] using chooch

Or Bernard's: http://www.ruppweb.org/new_comp/anomalous_scattering.htm Sent from ProtonMail mobile Original Message On 20 Jul 2021, 12:45, Tim Gruene wrote: > Dear Eleanor, not sure how to make Chooch happy, but maybe Ethan Merrit can > make you happy: there is his excellent

[ccp4bb] Job opening: Computational Crystallographer

Dear Colleagues, I would like to bring to your attention a job opening at the Data Management and Software Centre fo the European Spallation Source in Copenhagen, Denmark. In this role your main responsibility will be the design and development of a data processing pipeline optimized for

Re: [ccp4bb] using chooch

Thank you all - excellent solutions and choice can stay unhappy.. On Tue, 20 Jul 2021 at 13:27, Jon Cooper < 488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: > Or Bernard's: > > http://www.ruppweb.org/new_comp/anomalous_scattering.htm > > > Sent from ProtonMail mobile > > > > Origin

Re: [ccp4bb] using chooch

When I was looking into the calculation of f'/f'' last year I was told that data assembled by Chantler is more accurate than calculations based on Cromer-Liberman (used by most of MX programs). Chantler's data is available here: https://github.com/xraypy/XrayDB/tree/master/data_sources/chantler/fin

[ccp4bb] Ask The Experts Cryo EM Q&A Session Weds 7/21

We invite you to join the upcoming Ask the Experts Q&A session on the latest Cryo EM technology that is democratizing the once largely inaccessible technology. In this session on July 21 at 11 am EDT, Thermo Fisher Scientific cryo-EM experts will discuss: * The latest data and structures solved

[ccp4bb] Generate adx code

Dear all, Can I have a working Fortran code for generate_adx? I copied the code from https://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Generate_adx There are some different lines (than original in website), so I manually corrected and then compiled. However, generated output files ha

Re: [ccp4bb] Generate adx code

Dear Doo Nam Kim, I just followed the instructions at the link provided ! gfortran -O -C generate_adx.f90 -o generate_adx ! Then move the resulting binary to /usr/local/bin or ~/bin ! Usage: go to the directory which has XDS_ASCII.HKL and run generate_adx So you run it, and then open adxv, load

Re: [ccp4bb] Senior scientist crystallographer position at Evotec

Dear CCP4 community, We still have several crystallographer positions open in our structural biology team. If you are interested, please apply using this link: https://evotecgroup.wd3.myworkdayjobs.com/Evotec_Career_Site/job/Abingdon/Crystallography-Senior-Scientist_REQ-03307 Best wishes, Steph

Re: [ccp4bb] Generate adx code

1) Are you using the latest beta version of adxv? 2) Load the adx file (yes it is an ASCII text file...one for every diffraction image in your working directory) and load also the diffraction image. I also saw the white background after loading the adx file, but after loading the image I got the pr

[ccp4bb] pymol 2.5 GUI font size too small

I just updated my pymol version to 2.5, which now displays a tiny font in the internal GUI. The settings in pymol don't have an option for the GUI font. Does anybody have a suggestion on how to change the font size in the pymol GUI in version 2.5? Thanks Ursula -- Ursula Schulze-Gahmen, PhD Sta

Re: [ccp4bb] Generate adx code

Kay's program makes a system call to grep so I think it needs to be run on a unix/linux/X machine or virtual machine or to have grep installed on windows, which looks possible. Good luck, Jon.C. Sent from ProtonMail mobile Original Message On 20 Jul 2021, 23:36, Murpholino Pe

Re: [ccp4bb] pymol 2.5 GUI font size too small

Hi Ursula, Can you provide some more information? What OS are you using, Mac, Windows or Linux? Are you referring to the text in the top window or labels in the graphical window? J From: CCP4 bulletin board On Behalf Of Ursula Schulze-Gahmen Sent: Wednesday, 21 July 2021 11:17 AM To: CCP4BB@