cxcalc -- warning appear when , was added

User cf9dce26b3

31-07-2008 13:39:14

In windows system, when I use command

cxcalc -S -v -o marvin.sdf charge -t pi,total 01.sdf

Exception in thread "main" chemaxon.formats.MolFormatException: Cannot create record reader for the "chime" format

at<init>(Unknown Source)

at chemaxon.formats.MolImporter.init(Unknown Source)

at chemaxon.formats.MolImporter.<init>(Unknown Source)

at Source)

at chemaxon.marvin.Calculator.main(Unknown Source)

If I use command

cxcalc -S -v -o marvin.sdf charge -t total 01.sdf


cxcalc -S -v -o marvin.sdf charge -t pi 01.sdf

I can get correct output file

It looks the problem is related to ","

ChemAxon e08c317633

01-08-2008 10:04:50


Which version of Marvin are you using?


User cf9dce26b3

01-08-2008 10:37:17

Marvin version

ChemAxon fb166edcbd

03-08-2008 20:31:17

Perhaps it depends on the shell / command prompt you use, I use bash.


-t "pi,total"

the qoutes might prevent the shell from misinterpreting this.

User cf9dce26b3

04-08-2008 00:27:43


The problem is solved

I use

-t "pi,total"

it works