Pedro M. Guillem-Gloria

Function Trajectory.remove_solvent() could have a little Bug

4

Morning everyone, I'm working with h5 trajectories of a system that involves 2 proteins with 3 Zincs in different coordination states. These are prepared with Tleap and simulated using OpenMM....

Hello, I want to load a trajectory in H5 format into NGL, but using "file://" as source doesn't work because NGL doesn't understand H5. The docs speak of a way...

basic_string::_S_construct null or not valid

2

This error is throwing when i try a .bam output file from samtools. Any ideas??

I copied and pasted the VanillaJS code to a test.html. Opened on chrome but the site stays blank, and returns the following error: ``` statSeqs.js:66 Uncaught TypeError: e.on is not...

Hello all. I was wondering if this tool would be suitable for converting a non-standard residue from Amber format to CHARMM format. If so, where could I check an example?...

Hi Thanks for this cool package. I want to build a proteinLogo (or a CustomLogo) from a CAP_PPM matrix that i built using ProteinAlphabet(), but the X axis are **specific...

Superpose many pdbs, use different colors, but keep heavy atoms in a different color.

2

Hi. I superposed 5 pdbs mutated on positions 1, 45, 67. The idea is to superpose the backbone structures and highlight the **sidechains** of those 3 positions only. For this...

Color all sidechain but heavy atoms

3

Hi. I have 5 pdbs superimposed. I have a selection of residues 1, 45, 67 I have a line representation, for each PDB: `o.addRepresentation("line", {sele: "(1, 45, 67) and (not...