Skip to content

issues Search Results · repo:LoLab-MSM/PyBILT language:Python

Filter by

19 results
 (65 ms)

19 results

inLoLab-MSM/PyBILT (press backspace or delete to remove)

LoLab-MSM/PyBILT
pybilt on google colab

I tried to install the pybilt on google colab but I was not unable. I do not know why. Could you give any tips, please? Does it run with python2 or python3?
  • andresilvapimentel
  • 1
  • Opened 
    on Jul 17, 2021
  • #63

LoLab-MSM/PyBILT
APL from CG trajectories (Martini FF)

Dears, I have a coarse-grained trajectory (Martini Force Field) with a protein embedded in a bilayer with 6 different types of lipids. I would like to compute the Area per Lipid for each class, in each ...
question
  • sizeineb
  • 1
  • Opened 
    on Feb 22, 2020
  • #61

LoLab-MSM/PyBILT
Document supported topology and trajectory files

The file formats supported by PyBILT (i.e., the MDAnalysis backend) need to be documented, either in the README or ReadTheDocs pages. At the least, it should link back to the MDAnalysis pages with the ...
documentation
  • blakeaw
  • 1
  • Opened 
    on Oct 30, 2019
  • #60

LoLab-MSM/PyBILT
File support for BilayerAnalyzer

I m trying to figure out which filetype in the BilayerAnalzer module, I was training to use .psf/.gro as structure and .dcd/.xtc as trajectory, but it seems to not work. Could anyone explain to me what ...
documentation
question
  • DanielWicz
  • 1
  • Opened 
    on Oct 21, 2019
  • #59

LoLab-MSM/PyBILT
Install instructions

The Install instructions (in the README) which say to run python PyBILT./setup.py install don t work. The user needs to be inside the PyBILT repo directory and then run python setup.py install The above ...
documentation
  • blakeaw
  • 1
  • Opened 
    on Aug 21, 2019
  • #56

LoLab-MSM/PyBILT
Add embedded protein functionality to lipid grid.

The modules in pybilt.lipid_grid currently don t have support for dealing with membrane embedded proteins, which means properties like area per lipid can t be accurately estimated for membrane embedded ...
feature
  • blakeaw
  • Opened 
    on Jul 18, 2019
  • #52

LoLab-MSM/PyBILT
Area per lipid

Hi, I am using the com_trajectory.ipynb with my runs. I have a protein embeded in a heterogeneous membrane. In the notebook states: For more accurate area per lipid estimations we reccommend using the ...
  • almeida85
  • 5
  • Opened 
    on Jul 18, 2019
  • #51

LoLab-MSM/PyBILT
Errors when running tests under python 3.7

Running the tests of the current master version of PyBILT yields the following two errors (otherwise everything else seems to be fine): ================================================== ERRORS =================================================== ...
bug
  • blakeaw
  • 1
  • Opened 
    on May 19, 2019
  • #50

LoLab-MSM/PyBILT
Can pybuilt be build with python 3.7?

Hello The installation guide says python 3.6 is required for build pyBIlt, Can we build with python 3.7?
question
  • Amjadhpc
  • 1
  • Opened 
    on May 15, 2019
  • #49

LoLab-MSM/PyBILT
Add analysis for dimensionless overlap and interdigitation length

Add computation of the dimensionless overlap parameter and interdigitation length from Chinmay Das, Massimo G. Noro, Peter D. Olmsted, Simulation Studies of Stratum Corneum Lipid Mixtures, Biophysical ...
feature
help wanted
  • blakeaw
  • Opened 
    on Dec 5, 2018
  • #43
Issue origami icon

Learn how you can use GitHub Issues to plan and track your work.

Save views for sprints, backlogs, teams, or releases. Rank, sort, and filter issues to suit the occasion. The possibilities are endless.Learn more about GitHub Issues
ProTip! 
Restrict your search to the title by using the in:title qualifier.
Issue origami icon

Learn how you can use GitHub Issues to plan and track your work.

Save views for sprints, backlogs, teams, or releases. Rank, sort, and filter issues to suit the occasion. The possibilities are endless.Learn more about GitHub Issues
ProTip! 
Restrict your search to the title by using the in:title qualifier.
Issue search results · GitHub