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Can litemol read molecular data of type string, and if so, what format #42

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hhDD22 opened this issue Mar 20, 2019 · 3 comments
Open

Can litemol read molecular data of type string, and if so, what format #42

hhDD22 opened this issue Mar 20, 2019 · 3 comments

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@hhDD22
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hhDD22 commented Mar 20, 2019

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@dsehnal
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dsehnal commented Mar 20, 2019

What format do you need supported? It can read string data, but that is a very broad concept.

@hhDD22
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hhDD22 commented Mar 21, 2019

Thanks for your reply
I want to read the structure of a few amino acid molecules.

The amino acid is specified by passing in an external parameter.

I don't know what to do

@dsehnal
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dsehnal commented Mar 21, 2019

Maybe convert the file to PDB, CIF or SDF first?

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@dsehnal @hhDD22