Issues

• Long term SAS function goals

  BIOS-IMASL/bomeba0#77 · Filter by author PabloGGaray opened on Oct 20, 2021

• Implement a custom ppl

  BIOS-IMASL/bomeba0#64 · Filter by author aloctavodia opened on Mar 28, 2019

• Proposal subset

  BIOS-IMASL/bomeba0#63 · Filter by author aloctavodia opened on Mar 28, 2019

• add ramachandran based-priors

  BIOS-IMASL/bomeba0#62 · Filter by author aloctavodia opened on Mar 28, 2019

• Implement smart trial MC moves

  BIOS-IMASL/bomeba0#61 · Filter by author aloctavodia opened on Mar 28, 2019

• use xarray as main data structure

  BIOS-IMASL/bomeba0#55 · Filter by author aloctavodia opened on May 19, 2018

• peptides generation for DFT computations

  BIOS-IMASL/bomeba0#51 · Filter by author aloctavodia opened on Feb 15, 2018
  1

• Bayesian structural superposition

  BIOS-IMASL/bomeba0#50 · Filter by author aloctavodia opened on Dec 15, 2017

• Implement an alternative to kabsh algorithm

  BIOS-IMASL/bomeba0#49 · Filter by author aloctavodia opened on Dec 15, 2017

• Regularization is not working properlly

  BIOS-IMASL/bomeba0#45 · Filter by author aloctavodia opened on Dec 4, 2017

• rethink how rotations are handled internally

  BIOS-IMASL/bomeba0#41 · Filter by author aloctavodia opened on Nov 28, 2017

• Improve visualization

  BIOS-IMASL/bomeba0#40 · Filter by author aloctavodia opened on Nov 28, 2017
  1

• NOEs (distances) from a molecule

  BIOS-IMASL/bomeba0#39 · Filter by author aloctavodia opened on Nov 28, 2017

• NOEs read data file

  BIOS-IMASL/bomeba0#38 · Filter by author aloctavodia opened on Nov 28, 2017

• Hydrogen bonds

  BIOS-IMASL/bomeba0#37 · Filter by author aloctavodia opened on Nov 28, 2017

• function to compute peptides for DFT computations

  BIOS-IMASL/bomeba0#36 · Filter by author aloctavodia opened on Nov 28, 2017

• path for pdb in glycan test should not be harcoded

  BIOS-IMASL/bomeba0#27 · Filter by author aloctavodia opened on Sep 30, 2017