User 7b0ee04e66
09-06-2010 12:43:05
Hello
We have created our own calculator (own implementation of TPSA) which we can use in Marvin Sketch, with some help from Zsolt.
We can also use it in command line with cxcalc and evaluate
C:\Program Files (x86)\ChemAxon\JChem\bin>cxcalc.bat tpsa "NCCCO"
id tpsa
1 46.25
C:\Program Files (x86)\ChemAxon\JChem\bin>evaluate.bat -e "tpsa()" "NCCCO"
46.25
What is the best way to make this calculator and other new ones available in JChem4XL as a Chemical Term ? Is it currently possible ?
Thanks
Catherine