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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.simple.GhemicalMMReader
public class GhemicalMMReader
Reads Ghemical (
http://www.uku.fi/~thassine/ghemical)
molecular mechanics (*.mm1gp) files.
!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
Field Summary |
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Constructor Summary | |
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GhemicalMMReader()
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Method Summary | |
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protected boolean |
checkLine()
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(package private) void |
processAtoms()
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(package private) void |
processBonds()
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(package private) void |
processCharges()
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(package private) void |
processCoord()
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(package private) void |
processHeader()
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(package private) void |
processInfo()
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Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
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public GhemicalMMReader()
Method Detail |
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protected boolean checkLine() throws java.lang.Exception
checkLine
in class AtomSetCollectionReader
java.lang.Exception
void processHeader()
void processInfo()
void processAtoms() throws java.lang.Exception
java.lang.Exception
void processBonds() throws java.lang.Exception
java.lang.Exception
void processCoord() throws java.lang.Exception
java.lang.Exception
void processCharges() throws java.lang.Exception
java.lang.Exception
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