Re: [ccp4bb] replacing B-factor column and color accordingly

2025-01-13 Thread Andy Purkiss
. Hope this is of help, Andy Purkiss From: CCP4 bulletin board on behalf of Hughes, Jonathan Sent: 13 January 2025 16:11 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] AW: [ccp4bb] replacing B-factor column and color accordingly External Sender: Use caution. hi

Re: [ccp4bb] Pipetting Robot

2024-12-02 Thread Andy Purkiss
We generally only use Mitegen In-situ-1 plates with optimisation conditions dispensed with the Formulator not initial screens. However, our Art-Robbins Pheonix (once I repair it) can dispense into these trays from a deep well block (as would the Hydra it replaced as they share a similart head).

Re: [ccp4bb] malware in ccp4?

2024-08-28 Thread Andy Purkiss
Hi Andrea, I would suggest that this is probably a false positive down to the way your anti-virus software detects threats. Searching for this particular threat gives several similar examples from even very simple Python code. On my home PC, a scan of the CCP4 installation with Windows Defender

Re: [ccp4bb] Lattice expansion

2024-07-08 Thread Andy Purkiss
Hi Charlie, With xia2 you can try to reprocess and force the spacegroup to be P222 and the cell dimensions to be the larger option with the following options: -spacegroup P212121     -cell 80,80,120,90,90,90   This can also be done with other processing pipelines. I've seen sim

Re: [ccp4bb] Off-topic: UCSF Chimera Download

2024-06-18 Thread Andy Purkiss
According to X, there is electrical work yesterday and today. Downtime: The ChimeraX web site, web services (Blast Protein, Modeller tools, sequence realignment), mailing lists, and bug reporting will be down 9 AM Pacific time Monday June 17 to 5 PM Tuesday June 18 for building electrical upgra

Re: [ccp4bb] Topology diagram

2024-05-30 Thread Andy Purkiss
se of released structures here: https://www.ebi.ac.uk/thornton-srv/databases/pdbsum/ and there is a link to the Generate webpage there allows you to securely upload a pdb file if you don't wish to install the software yourself. Hope this helps, Andy Purkiss

Re: [ccp4bb] a dinosaur asks ... PDB format query

2024-05-15 Thread Andy Purkiss
https://bondxray.org/software/pdb-mode/ Hope this helps, Andy Purkiss From: CCP4 bulletin board on behalf of Hughes, Jonathan Sent: 15 May 2024 13:11 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] AW: [ccp4bb] a dinosaur asks ... PDB format query External Sender

Re: [ccp4bb] replacement for Scientific Linux

2024-04-26 Thread Andy Purkiss
Hi Harry, We've been migrating to Rocky Linux as it is built on RHEL in a similar way to Scientific Linux. Most things compiled on Centos 7 (our default for a while) work in Rocky Linux version 9. For compilers etc., I use the Software Collections / devtoolsets to run later versions than the de

Re: [ccp4bb] add ligand with AceDRG

2024-04-25 Thread Andy Purkiss
Hi Stefanie, In CCP4Cloud, the equivalent task will generate the files using a 'free', unused code, if nothing is entered in the relevant box. However, not sure if CCP4I2's task will do the same, but worth trying. Hope this helps, Andy From: CCP4 bulletin boar

Re: [ccp4bb] Is there a bulletin board (similar to ccp4bb) for small molecule crystallography

2024-03-12 Thread Andy Purkiss
Dear Fred, You need to register for the Windows (and other OS) installers if you want the stand-alone version of Shelx. The form is at https://shelx.uni-goettingen.de/register.php We have it running on Windows, although this version came with our Bruker X-ray generator. Hope this helps, Andy

Re: [ccp4bb] Rejected posting to CCP4BB@JISCMAIL.AC.UK

2007-08-15 Thread Andy Purkiss-Trew
ent, and tampering, Astex Therapeutics Ltd only send and receive > e-mails on the basis that the Company is not liable for any such alteration > or any consequences thereof. > Astex Therapeutics Ltd., Registered in England at 436 Cambridge Science Park, > Cambridge CB4 0QA under number 3751674 -- Cat, n.: Lapwarmer with built-in buzzer. +--+ | Andy Purkiss-Trew, School of Crystallography,Birkbeck College,London | | E-mail [EMAIL PROTECTED]| +--+

Re: [ccp4bb] The CCP4 license is ambiguous

2007-07-03 Thread Andy Purkiss
sure that some of the code is under the LGPL, and not the CCP4 licence. -- "We are the Kitten. Lower your weapons and open your arms. Your refrigerators and sofas will be utilized for our comfort. Your society will be assimilated to nurture and care for our own. Resistance is Furry." +-

Re: [ccp4bb] Phaser TFZ=100.0 ?

2007-03-12 Thread Andy Purkiss
s will be utilized for our comfort. Your society will be assimilated to nurture and care for our own. Resistance is Furry." +-----+ | Andy Purkiss, School of Crystallography, Bir

Re: [ccp4bb] Summary crystallisation of an extremely soluble protein

2007-02-23 Thread Andy Purkiss-Trew
good mutation :) Hope this helps Andy - Cat, n.: Lapwarmer with built-in buzzer. +------+ | Andy Purkiss-Trew, School of Crystallography,Birkbeck College,London | | E-mail [EMAIL PROTECTED]| +--+

Re: ccp4bb on new site

2007-01-22 Thread Andy Purkiss-Trew
the start of the subject line, so I'm happy now. Andy On Fri, 2007-01-19 at 18:57 +0000, Andy Purkiss-Trew wrote: > Dear Charles (and the rest of the bulletin board) > > I have a question regarding the new version of the software. > > Can the [ccp4bb] be put in front of

Re: ccp4bb on new site

2007-01-19 Thread Andy Purkiss
Quoting Juergen Bosch <[EMAIL PROTECTED]>: > Andy Purkiss-Trew wrote: > > >Dear Charles (and the rest of the bulletin board) > > > >I have a question regarding the new version of the software. > > > >Can the [ccp4bb] be put in front of the message

Re: ccp4bb on new site

2007-01-19 Thread Andy Purkiss-Trew
. Andy -- Cat, n.: Lapwarmer with built-in buzzer. +--+ | Andy Purkiss-Trew, School of Crystallography,Birkbeck College,London | | E-mail [EMAIL PROTECTED]| +--+