File: smi_isomorphism_009.sh

package info (click to toggle)
smiles-scripts 0.3.0%2Bsvn878%2Bbranch%2Bsystem%2Bdeps-2
  • links: PTS, VCS
  • area: main
  • in suites: forky, 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 157 bytes parent folder | download 
1
2
3
4
 
#!/bin/bash

echo -e "XXXXXXX\tC(C)O.N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O\tO=C(N[C@@H](C(C)C)C(=O)[O-])[C@@H]([NH3+])CC(C)C.OCC" \
    | smi_isomorphism