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joining 2 molfiles #31

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lpatiny opened this issue Nov 8, 2018 · 2 comments
Closed

joining 2 molfiles #31

lpatiny opened this issue Nov 8, 2018 · 2 comments

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@lpatiny
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lpatiny commented Nov 8, 2018

I have a small problem that I don’t know how to solve. I have 2 molfiles that I would like to join and create a new molfile that looks goodl.

The problem is to put them next to each other and align them vertically.

I could first generate 2 Moleculeand use the addMolecule method. I could also use the translateCoords but I don't know how to get the boundary of a molecule, meaning the box that includes all the atom.

Or is there a better way to solve my problem ?

Thanks !

@thsa
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thsa commented Nov 8, 2018 via email

@lpatiny
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lpatiny commented Nov 16, 2018

Perfect thanks

@lpatiny lpatiny closed this as completed Nov 16, 2018
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