DAMMIN using Symmetry D2

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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EduardoBruch
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DAMMIN using Symmetry D2

#1 Post by EduardoBruch » 2020.01.22 22:01

Hello
I am doing DAMMIN in some of my proteins and is working very well but I am having problem understanding the symmetry. Is is possible to do symmetry D2?
Thanks in advance

Eduardo

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AL
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Anisometry direction: Along 2-fold axis

#2 Post by AL » 2020.01.27 16:36

D2 is symmetric under reflection through a line, correct? I don't think DAMMIN can do D2 but you can specify:
  • Symmetry: P2
  • Anisometry: Prolate
  • Anisometry direction: Along 2-fold axis
That would be a command line like:
$ dammin --sy=P2 --an=P --dr=L gnomfile.out

EduardoBruch
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Re: DAMMIN using Symmetry D2

#3 Post by EduardoBruch » 2020.01.28 12:45

Hello Al,
Thanks for your answer. I will try this asap to see how it works. But if I understand correctly by using this command line I will be only imposing P2 symmetry right?
Again thanks for your help.
regards

Eduardo

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AL
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Re: DAMMIN using Symmetry D2

#4 Post by AL » 2020.02.10 20:38

EduardoBruch wrote:
2020.01.28 12:45
But if I understand correctly by using this command line I will be only imposing P2 symmetry right?
Yes.

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