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idrinnen avatar idrinnen commented on July 18, 2024

I have the same issue sorting a the a3m and hhm databases of an entire proteome. Please let me know if you found a solution. Thanks!

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hrp1000 avatar hrp1000 commented on July 18, 2024

Hi Idrinnen

I'm still trying to find a robust solution to this; what I can say with some confidence is that sometimes it appears to work and sometimes it doesn't - the solutions in the github issues pages aren't very reliable. I have to put more effort in this week (by sheer coincidence!) to get it working.
I don't expect anyone from the Soeding team to respond because my understanding (which could well be in error - I hope it is!!) is that they have lost funding for this project - which would be a huge shame.

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hrp1000 avatar hrp1000 commented on July 18, 2024

Hi Idrinnen

Sorry about the long delay - I've been distracted by other things for a couple of months, but I can now come back to this.

What I have found so far is that if I try to add entries to an existing DB then mostly it works but barfs on some entries, so I end up with an incomplete (and inconsistent) DB. The only way I've managed to build full DBs from my particular selection (so far, I am now working on this again) is to rebuild the DB from scratch whenever I have to add new entries. I don't think this is the best solution but it works for me (unfortunately, I have to update my DB once a week to include new entries from the PDB) and at least doesn't fail.

My guess is that I'm doing something wrong somewhere...

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hrp1000 avatar hrp1000 commented on July 18, 2024

Finally got round to looking at this.

My solution (which works okay for me) is to rebuild the DB from the a3m files every time - I put this into a cron job to run once a week when the PDB is updated. Uses more processing time than just adding entries, but it does seem to be robust. Until hh-suite has more funding so that problems like this can be answered by the hh-suite group, this is what I will be going with.

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