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MolAtom.getLigands()
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Bob

Joined: 15 Jun 2004
Posts: 2629

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Link to postPosted: Thu Apr 01, 2010 4:50 pmPost subject: MolAtom.getLigands() Reply with quote

I am glad to see that you have added a MolAtom.getLigand(int) method that returns a MolAtom.  

May I also suggest MolAtom.getLigands() to return a MolAtom[] ?  It would be much easier than what we have to do now.  

MolAtom[] ligands = atom.getLigands();

vs.

int numLigs = atom.getBondCount();
MolAtom[] ligands = new MolAtom[numLigs];
for (int ligNum = 0; ligNum < numLigs; ligNum++) {
	ligands[ligNum] = atom.getLigand(ligNum);
}
Erika
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Joined: 12 Oct 2005
Posts: 293

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Link to postPosted: Fri Apr 02, 2010 12:57 pmPost subject: Reply with quote

Hi Bob,

Thank you for your suggestion, we are going to implement this method by the next version.

Regards,
Erika

Erika
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Joined: 12 Oct 2005
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Link to postPosted: Fri May 21, 2010 2:10 pmPost subject: Reply with quote

Hi Bob,

The new MolAtom.getLigands() method is available in Marvin 5.3.3.

Regards,

Erika.

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