Fragmenter

In fragmenter the cleavege data is stored in SDF tags like UID,cutid,cutcount,cutsum etc if it is specified in configaration file.


In the sdf file after this a tag named <source> and its value ie 1


is coming.Can you please make clear about this source

jijibio wrote:

In fragmenter the cleavege data is stored in SDF tags like UID,cutid,cutcount,cutsum etc if it is specified in configaration file. In the sdf file after this a tag named <source> and its value ie 1 is coming.Can you please make clear about this source

"SOURCE: 1" SDF tag means: the fragment (in the output file) was generated from the 1st input molecule (taken from the input file)





"SOURCE: 2" SDF tag means: the fragment (in the output file) was generated from the 2nd input molecule (taken from the input file)





And so on.





Best regards,


Zsolt

Thank you for your reply..


I have one more confusion ..


what is the difference between cutcounts and cutsum..


Actually the number of cleaved bonds for each atom(cutcount)


and the total number of cleaved bonds mean alike..


and what does the fragment set indices of these identical fragments mean?