On 12/03/2013 01:28 PM, Yoel wrote: > Dimitri, > > In this case you do know which way you are looking. For brevity let's > consider a tetrahedral carbon atom with four different substituents... the > first thing you do is to assign them priorities based on there atomic > numbers then you place the smallest priority backward... this gives you the > point of reference you need to say clockwise and anticlockwise... > > The algorithm may take a different form but these are the general rules. > > I hope it helps.
No it doesn't, sorry. I have a message from Craig James here: http://forums.openbabel.org/stereo-config-td4656861.html that says it's based on "local connectivity around a single atom or bond". Please define "atomic numbers" in terms of "local connectivity around a single atom or bond". How is it different from the pikiwedia's explanation of CIP? -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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