chemosim-lab/ProLIF

Issues

• Regex for parsing residues

  #206 opened 8 days ago by cbouysset
  0

• Missing side chain and interactions

  #233 opened 12 days ago by ONISniperOne
  9

• Show percentage of interaction in lignetwork

  #226 opened 13 days ago by sperezconesa
  6

• how can i filter the results of fp

  #184 opened a year ago by hima111997
  3

• Different visualization area in a view of pymol3d in the tutorial

  #228 opened a month ago by xavgit
  5

• Question about the method plot_3d

  #232 opened 25 days ago by xavgit
  1

• [Feature Request] K means clustering

  #231 opened a month ago by ONISniperOne
  2

• Not consistent with the results in VMD for hydrogen bonds (ligand-protein interaction) even if using the same threshold

  #224 opened 2 months ago by yuyuan871111
  1

• Key errors in vdwradii

  #222 opened 2 months ago by yuyuan871111
  2

• Settings for the visualization area for py3Dmol and lignetwork.

  #221 opened 3 months ago by xavgit
  1

• Addition of `Waterbridge` interactions

  #219 opened 3 months ago by talagayev
  3

• Ifs for ligands without explicit Hs in the file

  #213 opened 3 months ago by Lili-Cao
  2

• Excluding intramolecular interactions from fingerprint

  #220 opened 3 months ago by williambrown3
  1

• Regarding selection of Groups to calculate the distance for an interaction.

  #218 opened 3 months ago by Anujkumarp
  1

• Turn off pseudobonds

  #217 opened 3 months ago by ONISniperOne
  2

• Wrong 2D depiction of alkyl structures caused by rdkit.

  #215 opened 4 months ago by alchemistcai
  1

• Hydrophobic interaction with an aromatic carbon bound to a nitrogen

  #214 opened 5 months ago by papillot
  2

• indices and parent_indices

  #212 opened 6 months ago by Lili-Cao
  1

• bitvector

  #208 opened 6 months ago by Lili-Cao
  6

• Save interaction atom number

  #209 opened 6 months ago by chenbq18
  1

• Random result of ifp?

  #194 opened 6 months ago by tom832
  3

• Ignoring interactions that occur below a certain threshold of the simulation frame in barcode plots

  #204 opened 8 months ago by elizagg
  1

• Hydrogen atom recognition problem

  #203 opened 8 months ago by williambrown3
  2

• Fixing ligand connectivity on the fly

  #202 opened 9 months ago by asiomchen
  1

• plf.display_residues(protein_mol)

  #196 opened 9 months ago by milenamlakic
  2

• Interactions vs Time

  #195 opened 9 months ago by Anujkumarp
  1

• Default halogen bond SMARTS ignores carbonyles

  #189 opened 10 months ago by asiomchen
  0

• Error when trying to use fp.to_dataframe() for a single PDB structure

  #192 opened 10 months ago by SampurnaM
  2

• Saving interaction map / ligand network

  #185 opened a year ago by nezix
  4

• Fingerprint fails on single frame trajectory

  #187 opened 10 months ago by nezix
  1

• Residue Numbers

  #186 opened a year ago by Anujkumarp
  2

• Issue on page /source/modules/plotting.html barcode plot error

  #178 opened a year ago by crisslind
  1

• Get dataframe with specific protein interactors (atoms instead of residues) as column headers

  #180 opened a year ago by jparcon
  2

• Saving position of ligand interactor on metadata

  #182 opened a year ago by jparcon
  2

• Getting blured plot of Interactions Fingerprint and 2-D Interactions network.

  #183 opened a year ago by Anujkumarp
  3

• TypeError: Fingerprint.to_dataframe() got an unexpected keyword argument 'return_atoms'

  #181 opened a year ago by theabhijitdn
  2

• VdWContact with hydrophobic SMARTS

  #179 opened a year ago by Dan-Burns
  1

• Empty Dataframe (no interaction detected warning) but fp object shows 11 interaction

  #175 opened a year ago by SampurnaM
  2

• Multiple Residues > 1 ligand?

  #174 opened a year ago by ONISniperOne
  2

• sns plotting hangs

  #173 opened a year ago by pipitoludovico
  2

• raise RunRequiredError( prolif.exceptions.RunRequiredError: Please run the fingerprint analysis before attempting to display results.

  #169 opened a year ago by tjrong123
  4

• Run fingerprint over multiple conformations of the same molecule

  #168 opened a year ago by forcefield
  2

• Using compound names instead of pose number as X axis of interaction barcode.

  #167 opened a year ago by Le-Phung-Hien
  1

• fp.ifp[0].keys() does not return a list of keys

  #165 opened a year ago by forcefield
  1

• Interface to retrieve atoms in interactions

  #164 opened a year ago by forcefield
  1

• Saving interaction JS to file

  #163 opened a year ago by richardjgowers
  1

• Error import prolif

  #162 opened a year ago by groponp
  2

• Error tutorial files instalation on MacOs

  #161 opened a year ago by groponp
  2

• Intramolecular Pi-hbond between the N-H of a peptide bond and residues with pi systems

  #159 opened a year ago by DipBobDar
  2

• New interaction (Backbone NH-Pi )

  #158 opened a year ago by DipBobDar
  2