a28c9784b3
- Bump affected ports - Switch ports to new mastersite, add LICENSE - Reformat ports pkg descriptions PR: 194493 Submitted by: tkato432@yahoo.com
8 lines
371 B
Text
8 lines
371 B
Text
Ghemical is a computational chemistry software package,
|
|
|
|
Ghemical relies on external code to provide the quantum-mechanical
|
|
calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
|
|
from the MOPAC7 package, and are included in the source distribution.
|
|
The MPQC package (GNU GPL) is used to provide ab initio methods.
|
|
|
|
WWW: http://bioinformatics.org/ghemical/
|