Re: [Cdk-user] MCS detection

2018-09-17 Thread John Mayfield
A couple of options, a) Use the newer standalone version of SMSD, this is why the package is deprecated. We did try to integrate the newer version but it proved difficult and there were some test regressions. You can still use the deprecated one. b) Edmund Duesbury has some updated MCS algorithms

[Cdk-user] MCS detection

2018-09-16 Thread Rajarshi Guha
Looking at the 2.0 docs indicates that the SMSD classes for MCS detection have been deprecated. What is the recommended way to identify MCS's in 2.0? -- Rajarshi Guha | http://blog.rguha.net | @rguha ___ Cdk-user mailing lis