<![CDATA[Multiwfn forum / wfn file]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=69 The most recent posts in wfn file. Wed, 22 Aug 2018 13:48:31 +0000 FluxBB <![CDATA[Re: wfn file]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=213#p213

You should use quantum chemistry codes such as Gaussian to perform single point energy task based on the structure in .pdb file, the .wfn file can be outputted if you use proper keywords (for example, use "out=wfn" in Gaussian input file. See beginning of Chapter 4 of Multiwfn manual for detail)

 dummy@example.com (sobereva) Wed, 22 Aug 2018 13:48:31 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=213#p213 <![CDATA[wfn file]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=212#p212

How do you converter a pdb file or xsd file to wfn file?

 dummy@example.com (Jay_m10) Wed, 22 Aug 2018 10:26:23 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=212#p212
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