JCHEM EXCEL v1.1.2 function reference in XLS file

Hi,

I created a small EXCEL file with all JCHEM EXCEL v1.1.2 functions filled.

Most of the 71 functions are captured, but not all functionality (reactor, standardizer,

Markush enumerator) is included.

See attachement Jchem-Excel-112-function-reference.xls below.

 

JCAtomCount
JCComposition
JCDotDisconnectedFormula
JCDotDisconnectedIsotopeFormula
JCExactMass
JCIsotopeComposition
JCIsotopeFormula
JCMass
JCMolFormula
JCIUPACName
JCAcidicpKa
JCBasicpKa
JCAcidicpKaLargeModel
JCBasicpKaLargeModel
JCMicrospeciesCount
JClogP
JClogD
JCMolecularPolarizability
JCDominantTautomerCount
JCTautomerCount
JCResonantCount
JCStereoIsomerCount
JCDoubleBondStereoisomerCount
JCTetrahedralStereoisomerCount
JCConformerCount
JCHasValidConformer
JCAtomCount
JCBondCount
JCCyclomaticNumber
JCRingCount
JCRingAtomCount
JCRingBondCount
JCChainAtomCount
JCChainBondCount
JCAliphaticRingCount
JCAromaticRingCount
JCAliphaticAtomCount
JCAromaticAtomCount
JCAromaticBondCount
JCCarboRingCount
JCHeteroRingCount
JCHeteroAromaticRingCount
JCCarboAromaticRingCount
JCFusedRingCount
JCFusedAliphaticRingCount
JCFusedAromaticRingCount
JCLargestRingSize
JCSmallestRingSize
JCPlattIndex
JCRandicIndex
JCBalabanIndex
JCHararyIndex
JCHyperWienerIndex
JCSzegedIndex
JCWienerIndex
JCAsymmetricAtomCount
JCRotatableBondCount
JCDreidingEnergy
JCPSA
JCMarkushEnumerationCount
JCAcceptorCount
JCDonorCount
JCAcceptorSiteCount
JCDonorSiteCount
JCRefractivity
JCDissimilarityCFEuclidean
JCDissimilarityCFTanimoto
JCDissimilarityPFEuclidean
JCDissimilarityPFTanimoto
JCDissimilarityBCUTEuclidean

 

Tobias

 

 

Mmhh,

just figured out that the  helpfile does not contain all the functions.

So this ref list and EXCEL sheet are already deprecated :-(

Tobias

 

Hi Tobias,

 

Regarding the User Guide, the one which is included on the USB drive, is not up-to-date yet. It might not even be updated in the official release (since we have a big delay already), so we will publish the installer in a few days.

We will later update it on the web site, ASAP. In the forthcoming versions, we will do this in synch with the release.

Regards,

Tamas.

 

PS: Sorry, in the first post I replied for two questions...

 

 

Thanks,

maybe its possible to have all the functions already in a sheet, like above that just requires the full documentation, as you mentioned.

Cheers