Re: [ccp4bb] Topology diagram

2024-05-30 Thread Andy Purkiss
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 From: CCP4

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

2024-05-15 Thread Andy Purkiss
at 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

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

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,

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

2007-08-15 Thread Andy Purkiss-Trew
. +--+ | 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
. 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. +-+ | Andy Purkiss, School

Re: [ccp4bb] Phaser TFZ=100.0 ?

2007-03-12 Thread Andy Purkiss
and care for our own. Resistance is Furry. +-+ | Andy Purkiss, School of Crystallography, Birkbeck College, London | | E-mail [EMAIL PROTECTED