File: featDef2.txt

package info (click to toggle)
rdkit 202503.6-3
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 222,000 kB
  • sloc: cpp: 411,111; python: 78,482; ansic: 26,181; java: 8,285; javascript: 4,404; sql: 2,393; yacc: 1,626; lex: 1,267; cs: 1,090; makefile: 581; xml: 229; fortran: 183; sh: 121
file content (12 lines) | stat: -rw-r--r-- 212 bytes parent folder | download | duplicates (10)
1
2
3
4
5
6
7
8
9
10
11
12
AtomType a1 [N,O;!H0]
AtomType a2 \
 [N,O]
DefineFeature HDonor1 [{a1}]
    Family HBondDonor
    Weights 1.0
EndFeature
DefineFeature HAcceptor1 [{a2}]
    Family \ 
    HBondAcceptor
    Weights 1.0
EndFeature