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#1 2021-03-06 21:03:53
- may01dz
- Member
- Registered: 2018-07-17
- Posts: 52
imposing a point group symmetry
Hello,
I look for a free software, capable of imposing a point group symmetry to my molecule.
Thanks in advance.
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#3 2021-03-08 13:12:11
- may01dz
- Member
- Registered: 2018-07-17
- Posts: 52
Re: imposing a point group symmetry
Hi,
I want to symmetrize it
Do you want to symmetrize your molecular structure? or simply detecting point group?
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#4 2021-03-08 22:43:17
Re: imposing a point group symmetry
Have a look at SYVA code, which is freely available and can be downloaded at Computer Physics Communications 215 (2017) 156–164. SYVA is able to detect point group and can present symmetrized structure.
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#5 2021-03-10 22:21:10
- may01dz
- Member
- Registered: 2018-07-17
- Posts: 52
Re: imposing a point group symmetry
thanks, I will
Have a look at SYVA code, which is freely available and can be downloaded at Computer Physics Communications 215 (2017) 156–164. SYVA is able to detect point group and can present symmetrized structure.
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#6 2021-08-17 15:36:06
- michaelp
- Member
- Registered: 2018-02-06
- Posts: 20
Re: imposing a point group symmetry
Hello,
the vmd program will do that for you as well in a very user friendly graphical environment. You will find the feature from the vmd main window under Extensions -> Analysis -> Symmetry Tool.
Regards,
Michael
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#7 2021-09-09 17:29:08
- may01dz
- Member
- Registered: 2018-07-17
- Posts: 52
Re: imposing a point group symmetry
Thank you so much for your response, and please accept my apologies for the delay in responding because I only saw it now... In any case, thanks a lot
Hello,
the vmd program will do that for you as well in a very user friendly graphical environment. You will find the feature from the vmd main window under Extensions -> Analysis -> Symmetry Tool.
Regards,
Michael
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