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Optional automatic protonation feature of Nitrogen in DW using EL
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Re: Optional automatic protonation feature of Nitrogen in DW using EL
[
message #1828
is a reply to
message #1824
]
Wed, 01 February 2023 01:04
thomas
Messages:
716
Registered:
June 2014
Senior Member
An option to skip (de-)protonation for docking fitness in evolutionary libraries will be in the next dev version...
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Optional automatic protonation feature of Nitrogen in DW using EL
By:
Jo W
on Mon, 30 January 2023 13:59
Re: Optional automatic protonation feature of Nitrogen in DW using EL
By:
thomas
on Wed, 01 February 2023 01:04
Re: Optional automatic protonation feature of Nitrogen in DW using EL
By:
Jo W
on Wed, 01 February 2023 16:23
Re: Optional automatic protonation feature of Nitrogen in DW using EL
By:
thomas
on Thu, 02 February 2023 12:03
Re: Optional automatic protonation feature of Nitrogen in DW using EL
By:
thomas
on Tue, 07 February 2023 16:09
Re: Optional automatic protonation feature of Nitrogen in DW using EL
By:
Jo W
on Thu, 09 February 2023 00:14
Re: Optional automatic protonation feature of Nitrogen in DW using EL
By:
thomas
on Thu, 09 February 2023 22:00
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Protonation state of cmpds
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Generate 2D atom coordinates gives overlapping atoms
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