Re: new GSAS for Mac

2007-07-05 Thread willb
Dear all, All the changes to help download GSAS for Mac OSX 10.4 Intel have been implemented at CCP14. Please be aware that CCP14 also mirrors all of Brian Toby's EXPGUI+GSAS software contained at NIST. Should hopefully find all that is necessary from:

WikiCCP14

2007-06-18 Thread willb
Dear all, I have created a wiki site for CCP14. The primary purpose is to provide tutorials, examples and installation instructions for crystallographic software. The secondary purpose is to include other help topics and discussions connected with crystallography, encompassing

GSAS instrument file Philips PW1820

2007-05-11 Thread willb
Dear all, Does anyone have to hand a GSAS instrument file for a Philips PW1820 diffractometer? Thanks William Bisson

Re: Removal of redundant/symmetry equivalent reflections

2007-04-17 Thread willb
Can also merge using Shelx-97 and PLATON, which is free for academic use. Xprep is a Bruker piece of software and I believe you still have to pay for that? Wrong forum I know, but on a single crystal note it is sometimes best to merge later, prior to structure solution, ie use Shelx to

Re: Calculation of powder peaks from CIF files?

2007-03-05 Thread willb
Dear all, Mercury does a good job of generating powder patterns from CIF files. http://www.ccdc.cam.ac.uk/products/mercury/ Regards William Bisson Quoting Alan Hewat [EMAIL PROTECTED]: What computer programs are freely available for basic calculations of powder peaks (d,I) from CIF files.

CCP14 administration (www.ccp14.ac.uk)

2007-01-23 Thread willb
Dear all, Please be aware that the administrator for CCP14 is William Bisson; email [EMAIL PROTECTED] Any questions, concerns or helpful feedback please respond to myself. Kind regards William Bisson I will be grateful if this message could be forwarded onto other mailing lists whose

CCP14 server has moved

2006-12-06 Thread willb
Dear all, The CCP14 server has moved. The redirection of the web address should happen in the next 24 hours. Please let me know of any difficulties - accessing your own user area, ftp and broken links. Kind regards William Bisson

Multiple Email addresses

2006-10-25 Thread willb
Dear Alan or administrator, Is it possible to have two or more email addresses associated with one user name? I subscribed with the email address I use the most. However, circumstances have changed and depending upon where I am if I want to use a particular server to email out, the

GSAS: Linux install

2006-10-25 Thread willb
Dear all, I can't unpack GSAS using the command line. It states something along the lines of the file not being the correct format? I am using SUSE 10.0 x86_64 and if I use Ark that comes with SUSE it unpacks no problems - I think. When I run the script all I get is the command line - is there