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clearing atom maps
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Nora
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Joined: 25 Jun 2004
Posts: 236

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Link to postPosted: Mon Oct 04, 2004 10:57 amPost subject: Re: clearing atom maps Reply with quote

You can do this by calling MolAtom.setAtomMap(0).

Example:

Code:

java ClearMaps test.sdf
CCCC1CCCC(C1)C(C)NC
C1COC2CC3OCCCC3CC2C1



 Filename: test.sdf    Filesize: 2.62 KB    Downloaded: 894 Time(s)
 Description:  test input file

 Filename: ClearMaps.java    Filesize: 441 Bytes    Downloaded: 946 Time(s)
 Description:  test program
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