How can I recognize each structure's name in sdf file?

User f6549195f0

23-08-2013 12:17:20

I would like to make sdf file to calculate properties on a lots of mol files,


but when I make sdf file with standardizer, each name of molfiles can not be kept up


so become unable to recognize.


How can I keep up names of mol file (sturucture's name) when I make sdf f file?


 

ChemAxon e08c317633

23-08-2013 12:35:27

I'm not sure I understand your problem. Could you attach an example (mol and sdf files)?

User f6549195f0

23-08-2013 12:47:37

I attached Sample.sdf, it is including 'c6-98.mol' and 'c8-1001.mol'.


But each file name is not shown in sdf file ;(

User f6549195f0

23-08-2013 12:49:16

Sorry, not 1001.


C6-98.mol and C8-100.mol


 


Kind regards,

ChemAxon e08c317633

27-08-2013 15:29:42

I cannot see any molecule names in your input/output files.


Do you want the filenames to be written as molecule names to the output sdf file? Standardizer cannot do that.


Could you attach the expected output file?

User f6549195f0

30-08-2013 05:20:16

I want the filenames to be written as unique names(ex c6-98, c8-100) to the output sdf file.


I didn't know standardizer could not do that.


I have not such an sdf file as I have only standardizer;/


Do you know any software that can make sdf file I want?

ChemAxon af8e24758b

30-08-2013 09:37:24

It is not possible in Standardizer, however you can do that from the Java or .NET API.

Anna