http://www.shanxitv.org/wfnbbs/viewtopic.php?id=69 Wed, 22 Aug 2018 13:48:31 +0000 FluxBB http://www.shanxitv.org/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)

]]> Wed, 22 Aug 2018 13:48:31 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=213#p213 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=212#p212 How do you converter a pdb file or xsd file to wfn file?

]]> Wed, 22 Aug 2018 10:26:23 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=212#p212 久久精品国产99久久香蕉