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 chemaxon.marvin.io.MRecordImporter.<init>(Unknown Source)


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


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


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


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








If I use command


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


or


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

Hi,





Which version of Marvin are you using?





Zsolt

User cf9dce26b3

01-08-2008 10:37:17

Marvin version 5.0.6.1

ChemAxon fb166edcbd

03-08-2008 20:31:17

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


Try


-t "pi,total"


the qoutes might prevent the shell from misinterpreting this.

User cf9dce26b3

04-08-2008 00:27:43

Thanks





The problem is solved





I use


-t "pi,total"


it works