RE: new GSAS
Another question regarding GSAS. Which version of expgui runs best on the win2000 platform? Is EXPGUI a program used in place of the EXPEDT routine in GSAS? -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED]] Sent: Monday, April 09, 2001 4:43 PM To: [EMAIL PROTECTED] Subject: new GSAS Hi Everyone, I have a new version of PC-GSAS.EXE that works in both Win95/98 and WinNT/2000 and have put the executable in ftp://ftp.lanl.gov/public/gsas/windows. There is also a new version for Linux in the directory /linux-beta. The main change is to make the exp raw powder data files direct access with 82 character records each terminated with CR/LF. Thus, these files can be easily read and edited without any need for conversion. Their structure is identical to that for MS Windows so these files can be moved between operating systems without conversions as well. EXPEDT in Linux should convert your old Linux files to the new format. A conversion utility, CONVFILE, is also provided to do this job. Because of this format change Brian Toby's expgui may need some revision - Brian is working on this - but I wanted folks to try this version let me know of bugs. This Linux version was compiled on RedHat 7.0 and linked to the downward compatible libraries so it should run in RedHat 6.2 or better ( equivalent). Bob Von Dreele
RE: new GSAS
Hi Guys,
Only one program can "open" a file but you can resister many programs that
appear in the pull down menu when you "right click" a registered file name.
I have mine setup with 6-7 different gsas programs available for an exp
file. The "readme" gives directions for setting this up.
Bob Von Dreele
At 07:59 AM 4/10/01 -0700, you wrote:
Anthony,
As far as I know, Windows only allows one unique program to automatically
open files with a particular extension. :-{
Kurt L
-Original Message-
From: Anthony Manerbino [mailto:[EMAIL PROTECTED]]
Sent: Tuesday, April 10, 2001 7:40 AM
To: '[EMAIL PROTECTED]'
Subject: RE: new GSAS
When 'registering' GSAS experiment files with the windows operating system
the file extension .exp is used when I register another routine such as
powpref I attempt to use the same extension (.exp). The problem I'm
encountering is registering the extension .exp multiple times, are you only
able to link the extension to one subroutine at a time.
Anthony M.
-
RE: new GSAS
Is the program expgui used instead of the routine expedt for entering
structural information and bring experimental patterns into GSAS?
Anthony
-Original Message-
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED]]
Sent: Tuesday, April 10, 2001 12:46 PM
To: [EMAIL PROTECTED]
Subject: RE: new GSAS
Hi Guys,
Only one program can "open" a file but you can resister many programs that
appear in the pull down menu when you "right click" a registered file name.
I have mine setup with 6-7 different gsas programs available for an exp
file. The "readme" gives directions for setting this up.
Bob Von Dreele
At 07:59 AM 4/10/01 -0700, you wrote:
Anthony,
As far as I know, Windows only allows one unique program to automatically
open files with a particular extension. :-{
Kurt L
-Original Message-
From: Anthony Manerbino [mailto:[EMAIL PROTECTED]]
Sent: Tuesday, April 10, 2001 7:40 AM
To: '[EMAIL PROTECTED]'
Subject: RE: new GSAS
When 'registering' GSAS experiment files with the windows operating system
the file extension .exp is used when I register another routine such as
powpref I attempt to use the same extension (.exp). The problem I'm
encountering is registering the extension .exp multiple times, are you only
able to link the extension to one subroutine at a time.
Anthony M.
-
RE: new GSAS
Windows 2000 does allow to associate many program to the same extension using "Advance" button. Dr. Peter Y. Zavalij University Crystallographer Materials Research Center, SUNY at Binghamton Tel: (607)777-4298Fax: (607)777-4623 E-mail:[EMAIL PROTECTED] http://materials.binghamton.edu/zavalij
Re: new GSAS (EXPGUI)
Anthony Manerbino wrote: Is the program expgui used instead of the routine expedt for entering structural information and bring experimental patterns into GSAS? In a word, yes. EXPGUI does only a fraction of what EXPEDT does, but I would like to think it is pretty useful. See http://www.ncnr.nist.gov/xtal/software/expgui/expgui_intro.html for more info. Brian P.S. The current version should work fine with the latest GSAS release for Windows, but I have not yet gotten my act together for the "beta" Linux release. Brian H. Toby, Ph.D.Leader, Crystallography Team [EMAIL PROTECTED] NIST Center for Neutron Research, Stop 8562 voice: 301-975-4297 National Institute of Standards Technology FAX: 301-921-9847Gaithersburg, MD 20899-8562 http://www.ncnr.nist.gov/xtal
Toroidal atom displacement factors?
Hi everyone, I have some data where I suspect that an atom rather than sitting exactly on a special position is actually displaced off of it, and should essentially form a torus around it. I think I overheard that there is the possibility of using toroidal displacement factors in one of the more common programs. Could someone give me a pointer in that direction if it is possible at all? Thanks, AlexY Dr. Alexandre F. T. Yokochi Assistant Professor (Senior Research) Director, X-ray Crystallographic Facilities Department of Chemistry Oregon State University Corvallis, OR 97331-4003 Ph# (541) 737-6724 Email: [EMAIL PROTECTED] Fax# (541) 737-2062 Web Page: crystal.chem.orst.edu/~alexy (temporarily unavailable)
