cxcalc option to store only logp value

User 247a2c5018

13-01-2006 10:42:20

I run :

cxcalc logp titi.sdf > toto.txt

in toto.txt, I have

id logP

1 4,02

Is it possible to have only "4,02"?

ChemAxon fb166edcbd

14-01-2006 17:01:14

Yes, you should use the "-N hi" cxcalc option (no header, no ID):


cxcalc -N hi logp titi.sdf > toto.txt