how to estimate the quality of jc_standardize clean:full

User cf4264f752

17-02-2015 16:34:04

This question is also part of the work that I've described in my previous post.


Is there a way to measure the quality of the output of applying clean:full?


Cause sometimes the result is perfect and sometimes it's... well, ugly)


 


Thanks,


Alena

ChemAxon e08c317633

19-02-2015 09:14:38

Structure Checker can identify overlapping atoms, overlapping bonds, wrong bond angles and wrong bond lengths.


See
Overlapping Atoms Checker
Overlapping Bonds Checker
- Bond Angle Checker
Bond Length Checker


Currently we don't have other methods to estimate the quality of clean:full. 

User cf4264f752

19-02-2015 13:16:06

Thanks a lot!


This is very useful, I'll check it!