Some entries have huge number of interfaces and thus need a lot of storage

[josemduarte]

E.g. 4aqq, 933 interfaces: 274 MB needed to store all files for it. The problem here is the way we expand operators treats many identical symmetric copies as different (NCS-like) interfaces.

It'd be good to find a solution that can reduce the number of interfaces we store and display for these cases.

[josemduarte]

See also #141, another issue affecting entries with NCS operators

And also #210

[josemduarte]

4aqq happens to have many clashes in some interfaces, perhaps that's also the issue here. The calculation would abort with a "too many clashes" error in 3.0.3 and before. 3.0.4-SNAPSHOT changes the aborting on too many clashes behaviour.

[josemduarte]

Another additional problem: pymol gets stuck in producing the assembly files for some of these entries, probably because the script that we pass to it is too long.

An example where I saw this issue: 4cdq, it has 487 interfaces in total. It produces all of the interfaces files but then it freezes when running pymol to produce the assembly file for assembly 1. The pymol process is still alive but zombie.

[josemduarte]

And an additional issue: interface calculation takes a very long time for these entries. For instance 15 minutes for 4cdq. That's because we consider symmetric copies to be different, so there's a lot of redundant ASA calculation.

A better example: 5lwg takes 45 minutes (1652 interfaces).