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Version 1.06 #10
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I'll have a look this weekend, I think it should be relatively straightforward to update |
Thanks!
From: Daniel Lowe ***@***.***>
Sent: Thursday, June 3, 2021 5:48 PM
To: dan2097/jna-inchi ***@***.***>
Cc: John Duncan ***@***.***>; Author ***@***.***>
Subject: Re: [dan2097/jna-inchi] Version 1.06 (#10)
I'll have a look this weekend, I think it should be relatively straightforward to update
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I've added the new flags, I expect it should be possible to access the polymer functionality via molToInchi, but I haven't currently added any high level functionality to do this programmatically. The underlying functions are mapped, although one of them in particular (IXA_MOL_SetPolymerUnit) has a very complex method signature! |
Do you think you could update to version 1.06 which was released in December 2020. It has some new flags for polymers and query atoms (NPZz)
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