[GSAS-II] Adding restraints from files

Jintaek Gong kalimeriashd at kaist.ac.kr
Fri Jul 20 06:36:00 CDT 2018


Dear All Respectable Powder Diffraction Researchers,

Is there any possible way to import the file that contains restraints?

I mainly analyze very large organic molecules.
So I have to enter a large number of restraints into GSAS2.
However, it takes too much time to enter each restraint.

So if I have a restraints list file in advance, and I can import the file
from this program, it seems that the work will be much more efficient.

If you have an idea to do this efficiently, please let me know.

Best Regards,
J. Gong.



----------
*Jintaek Gong, Ph.D *

- Post-Doctoral Researcher, Natural Science Research Institute.
- Researcher, Center for Multiscale Chiral Architectures (CMCA).

Biomimetic Organic Lab, Dept. of Chemistry, KAIST.
291 Daehak-ro, Yuseong-gu, Daejeon *34141*, Republic of Korea

E-mail : kalimeriashd at kaist.ac.kr
Phone : +82-42-350-5846
Fax : +82-50-4076-3539
ᐧ
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20180720/ba3ccd74/attachment.html>


More information about the GSAS-II mailing list