Class Mol2Reader

All Implemented Interfaces:
javajs.api.GenericLineReader

public class Mol2Reader extends ForceFieldReader
A minimal multi-file reader for TRIPOS SYBYL mol2 files.

http://www.tripos.com/data/support/mol2.pdf see also http://www.tripos.com/mol2/atom_types.html PDB note: Note that mol2 format of PDB files is quite minimal. All we get is the PDB atom name, coordinates, residue number, and residue name No chain terminator, not chain designator, no element symbol. Chains based on numbering reset just labeled A B C D .... Z a b c d .... z

  • Field Details

    • nAtoms

      private int nAtoms
    • ac

      private int ac
    • isPDB

      private boolean isPDB
    • lastSequenceNumber

      private int lastSequenceNumber
    • chainID

      private int chainID
  • Constructor Details

    • Mol2Reader

      public Mol2Reader()
  • Method Details