Hi everyone,
I've placed new Windows & Linux GSAS distribution kits on the ftp server.
There are some substantial changes in the installation and operation for
this version. It is important to look at the "readme" file (yes, even you
old hands). See below for details.
Bob Von Dreele
GSAS News.......
June 11, 2001
Fixes & changes.....
1. Missing font file (grfont.dat) placed in Windows distribution kit.
2. Error in phi/psi torsion angle restraint editing routine fixed.
3. EXPTOOL fixed to handle new file formats.
4. Program "GEOMETRY" now called correctly from PC-GSAS.
5. The Windows gsaskit.exe distribution kit now includes the GSAS Manual as
a pdf file.
Use Adobe Reader to read it. The kit is now created as a self extracting
executable
that automatically creates the correct directory structure (i.e. the "-d"
is no longer
needed).
6. The QBASIC GSAS interface has been removed from the Windows kit.
7. A modification of the "registration" procedure for EXP files is given in
the "readme"
file. It gives better behavior of the console window running each GSAS routine.
8. The appropriate macro files for setting up complete restraints for
protein powder
refinement for the 20 natural amino acids are now in \gsas\macros. You are
on your own
for other types of "macromolecules" and any possible ligand molecules (i.e.
heme,
NAG, etc.).
9. The "old" versions of the experiment files are now numbered "EXPNAM.Onn"
where nn is a hexadecimal value. These form a back history of your
experiment files as your work
progresses. By entering "D" (delete) in the first menu in EXPEDT you can
backup for as
many previous versions as you have retained on your disk drive. Once you
have entered
"D" you cannot change your mind so be careful about going back to a
previous version.
The largest version extension is ".OFF" (i.e. 255 versions). It is not
clear what will
happen if you exceed this. If you are close to this limit I recommend
deleting all
"EXPNAM.Onn" files; the next run of EXPEDT or GENLES will generate
"EXPNAM.O01".
(Thanks to Allen Larson for this one).
10. Experiment names are no longer restricted to 8 characters. The entire
file name
including path is restricted by the operating system to 255 characters.
However, GSAS
experiment names and the path should not have imbedded blanks.
