org.jmol.adapter.readers.more
public class GhemicalMMReader extends AtomSetCollectionReader
!Header mm1gp 100
!Info 1
!Atoms 6
0 6
1 6
2 1
3 1
4 1
5 1
!Bonds 5
1 0 D
2 0 S
3 0 S
4 1 S
5 1 S
!Coord
0 0.06677 -0.00197151 4.968e-07
1 -0.0667699 0.00197154 -5.19252e-07
2 0.118917 -0.097636 2.03406e-06
3 0.124471 0.0904495 -4.84021e-07
4 -0.118917 0.0976359 -2.04017e-06
5 -0.124471 -0.0904493 5.12591e-07
!Charges
0 -0.2
1 -0.2
2 0.1
3 0.1
4 0.1
5 0.1
!End
Method Summary | |
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void | processAtoms() |
void | processBonds() |
void | processCharges() |
void | processCoord() |
void | processHeader() |
void | processInfo() |
AtomSetCollection | readAtomSetCollection(BufferedReader reader) |