Re: [Cdk-user] ungraceful fail of MDE descriptor for long alkyl chains

In fact even better please submit a PR since you've identified and fixed the problem. On 6 August 2017 at 16:43, John Mayfield wrote: > Please post an issue: github.com/cdk/cdk > > > On 5 August 2017 at 01:50, Andrei Kazakov wrote: > >> Hello, >> >> The "bugs" list seems to be deserted so I am

Re: [Cdk-user] ungraceful fail of MDE descriptor for long alkyl chains

Please post an issue: github.com/cdk/cdk On 5 August 2017 at 01:50, Andrei Kazakov wrote: > Hello, > > The "bugs" list seems to be deserted so I am posting it here. It appears > to be an overflow issue in MDEDescriptor.java that produces zero values for > long chains (the code is unchanged acro