Mikael Trellet

Code improvement following sonarcloud.io standards

1

I've just tested sonarcloud.io on the repository (my fork): https://sonarcloud.io/dashboard?id=mtrellet_pdb-tools It highlights few things we could easily solve to improve the code. Nothing alarming or urgent but I'll try to...

Allow numbers as chainIDs/segIDs

5

When a PDB has numbers instead of characters as chainIDs and/or segIDs, `calc_fcc_matrix` returns the following error: ```bash 1 + BEGIN: Mon Nov 13 01:18:23 2017 2 + Parsing 202...

Referencing multiple sources/datasets for ihm_derived_distance_restaints

1

Distances automatically generated in HADDOCK from several sets of "active" (key) residues can currently reference only a unique dataset as a source of information in the IHM dictionary (`_ihm_derived_distance_restraint.dataset_list_id`). However,...

Get pressure setpoint via RS232 command

3

I am controlling the PX-345 through the RS-232 port. I can set and query successfully. I do not see a command to Read the current pressure setpoint. Alpha can be...