Multiwfn forum / imposing a point group symmetry

Re: imposing a point group symmetry

dummy@example.com (may01dz) — Thu, 09 Sep 2021 17:29:08 +0000

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

michaelp wrote:

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

Re: imposing a point group symmetry

dummy@example.com (michaelp) — Tue, 17 Aug 2021 15:36:06 +0000

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

Re: imposing a point group symmetry

dummy@example.com (may01dz) — Wed, 10 Mar 2021 22:21:10 +0000

thanks, I will

sobereva wrote:

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.

Re: imposing a point group symmetry

dummy@example.com (sobereva) — Mon, 08 Mar 2021 22:43:17 +0000

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.

Re: imposing a point group symmetry

dummy@example.com (may01dz) — Mon, 08 Mar 2021 13:12:11 +0000

Hi,
I want to symmetrize it

sobereva wrote:

Do you want to symmetrize your molecular structure? or simply detecting point group?

Re: imposing a point group symmetry

dummy@example.com (sobereva) — Sat, 06 Mar 2021 23:18:38 +0000

Do you want to symmetrize your molecular structure? or simply detecting point group?

imposing a point group symmetry

dummy@example.com (may01dz) — Sat, 06 Mar 2021 21:03:53 +0000

Hello,

I look for a free software, capable of imposing a point group symmetry to my molecule.
Thanks in advance.