<![CDATA[Multiwfn forum / imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=467 The most recent posts in imposing a point group symmetry. Thu, 09 Sep 2021 17:29:08 +0000 FluxBB <![CDATA[Re: imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1972#p1972

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

dummy@example.com (may01dz) Thu, 09 Sep 2021 17:29:08 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1972#p1972
<![CDATA[Re: imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1917#p1917

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

dummy@example.com (michaelp) Tue, 17 Aug 2021 15:36:06 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1917#p1917
<![CDATA[Re: imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1696#p1696

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.

dummy@example.com (may01dz) Wed, 10 Mar 2021 22:21:10 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1696#p1696
<![CDATA[Re: imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1687#p1687

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.

dummy@example.com (sobereva) Mon, 08 Mar 2021 22:43:17 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1687#p1687
<![CDATA[Re: imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1685#p1685

Hi,
I want to symmetrize it

sobereva wrote:

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

dummy@example.com (may01dz) Mon, 08 Mar 2021 13:12:11 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1685#p1685
<![CDATA[Re: imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1684#p1684

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

dummy@example.com (sobereva) Sat, 06 Mar 2021 23:18:38 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1684#p1684
<![CDATA[imposing a point group symmetry]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1683#p1683

Hello,

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

dummy@example.com (may01dz) Sat, 06 Mar 2021 21:03:53 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1683#p1683
Baidu
map