You are here

Setting output values using a database (with relax app)

2 posts / 0 new
Last post
Setting output values using a database (with relax app)

Hello all,

I noticed rosetta creates 23 tables in MySQL when using it as output backend in the RELAX application.

For my specific research I only need to hold the per-residue energies and the total energies... I don't need the atoms, topology or PDB data to be saved after each cycle, as it consumes a lot of memory.

Question: Is there a flag where I can narrow which output should be exported to the Database?

I read about database filters, but there is hardly any documentation on how to use them.

I believe I can always manually copy what I need to my own result table (with a script) and simply flush the rosetta tables afterwards... but this is far from ideal.

Thanks in advance.


Post Situation: 
Thu, 2020-05-14 04:33

Well... it turns out this doesn't seem to be documented.

I had to write a PDB file scavenger to get residue energies from the output.

Wed, 2020-06-24 04:41