Commit fa7bfedc authored by Alvin Noe Ladines's avatar Alvin Noe Ladines
Browse files

Implemented basic charmm parser

parent 031b220b
Pipeline #101265 passed with stages
in 25 minutes and 57 seconds
Subproject commit 23b8f3d9081b62cf80a69b646b0444471d3b7740
Subproject commit 0fb04787bc03491d6bfe5d0e44dd19822ac68e88
......@@ -67,6 +67,7 @@ from namdparser import NAMDParser
from onetepparser import OnetepParser
from siestaparser import SiestaParser
from tinkerparser import TinkerParser
from charmmparser import CharmmParser
try:
# these packages are not available without parsing extra, which is ok, if the
......@@ -221,12 +222,7 @@ parsers = [
GromacsParser(),
GromosParser(),
NAMDParser(),
LegacyParser(
name='parsers/charmm', code_name='Charmm', domain='dft',
parser_class_name='charmmparser.CharmmParser',
mainfile_contents_re=r'\s*Chemistry\s*at\s*HARvard\s*Macromolecular\s*Mechanics\s*',
mainfile_mime_re=r'text/.*',
),
CharmmParser(),
DFTBPlusParser(),
AsapParser(),
FploParser(),
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment