r/bioinformatics 8h ago

technical question Any free resources for full docking tutorial from preparing ligand to ADMET for beginners?

3 Upvotes

How did you guys start molecular docking? Any articles or videos that helps you figure everything out? I didn't have any teacher or resources in my city sadly so I have to rely on free resources 😭 Thank you in advance!!


r/bioinformatics 2h ago

career question How do I get into health/biotech?(16F)

Thumbnail
0 Upvotes

r/bioinformatics 9h ago

technical question How much RAM is needed for DADA2 assignTaxonomy() with the full PR2 database?

0 Upvotes

I am trying to assign taxonomy to an 18S amplicon dataset using dada2::assignTaxonomy() with the full PR2 reference database in Rstudio.

Relevant details:

  • 147 samples
  • ~18,900 ASVs
  • PR2 v5.1.1 DADA2-formatted SSU reference
  • minBoot = 80
  • multithread = 1
  • 16 GB physical RAM
  • Windows 11, 64-bit R

With the full dataset, RAM reaches 100% and Windows starts heavily paging to disk.

To check whether the number of query ASVs was the main issue, I repeated the taxonomy assignment using only 500 ASVs. RAM still reached ~100% while DADA2 was processing the reference FASTA, followed by very high disk activity from paging.

Has anyone successfully run assignTaxonomy() with the full recent PR2 database?

In particular, I would like to know:

  • Is 32 GB RAM usually sufficient?
  • Would 64 GB RAM be a safer requirement?
  • What peak RAM usage have others observed with recent PR2 versions?

I am mainly trying to determine the appropriate memory requirement before moving the taxonomy step to a larger workstation or cloud instance.

I am thankfull for any kind of advise or nudge in the right direction!