We prefer to be positive and not focus on problems. But let's face it, problems exist. This page enumerates what can go wrong and what to do about it.
We differentiate among blunders, bugs, feature requests technical problems, algorithmic problems and other problems.
- *Blunders* are typos or other errors such as incorrect chemical structures. Blunders can be put right immediately simply by typographical correction.
- *Bugs* are errors in code, scripts, and behaviors that are more that simply typography. Bugs do not require a major new coding effort.
- *Feature requests* require a major new coding effort. Here we include bugs that are beyond the scope of a simple fix.
- *Technical problems* refer to limitations of or problems with hardware or operating system. Technical problems may be transient, and often solve themselves, sporadic, and probably other kinds as well. Some technical problems may require more time or money than we have available, or maybe we are just lazy.
- *Algorithmic problems* describe situations where the correct solution requires thought and study. For instance: what is the best way to score a molecule given the constraints of fast docking? How to account for receptor desolvation and entropy?
- There are other problems as well. If a problem can be classified as one of the above, that can be helpful.