File: smi_isomorphism_020.sh

package info (click to toggle)
smiles-scripts 0.3.0%2Bsvn878%2Bbranch%2Bsystem%2Bdeps-2
  • links: PTS, VCS
  • area: main
  • in suites: sid, trixie
  • size: 3,860 kB
  • sloc: perl: 1,889; java: 1,218; sh: 1,092; makefile: 246
file content (4 lines) | stat: -rwxr-xr-x 198 bytes parent folder | download 
1
2
3
4
 
#!/bin/bash

echo -e "XXXXXXX\tO1CCOCC1.OC1(OOC(C1)(C(F)(F)F)O)C(F)(F)F\tC([C@@]1(C[C@@](C(F)(F)F)(OO1)O)O)(F)(F)F.C1COCCO1.C([C@]1(C[C@](C(F)(F)F)(OO1)O)O)(F)(F)F.C1COCCO1" \
    | smi_isomorphism