ProDy

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Unable to submit ProDy job from VMD even after designating path to prody.exe

14

I would like to use the Normal Mode Wizard in VMD to conduct PCA analysis use the ProDy Interface. I am using a Windows 10 computer and the 64 bit...

christos-efthymiou

feature request: converter from molpro to nmd

1

https://github.com/prody/NMWiz/pull/1 could potentially be a useful feature for prody

jamesmkrieger

Domain Bar

24

Hello, I want to use the showDomainBar function to plot the domains for my plot. Anyone can help me? 

yago52

WIP: Motif search

1

This feature adds possibility to search for a MOTIF using Prody package.

mkonstanty

modehunter interpolateModel

2

This function for thin plate spline interpolation has been copied and modified from the Python 2 code in SITUS ModeHunter in accordance with its legal notice. It should be a...

jamesmkrieger

pip install cannot build wheels

24

I tried using pip install -U ProDy as instructed here: http://prody.csb.pitt.edu/downloads/ The error is as follows: ERROR: Failed building wheel for ProDy Failed to build ProDy ERROR: Could not build...

mccool-ryan

fix mode ens for empty labels in addModeSets

1

Labels are needed for various downstream functions including getEigvecs and getArray so they need to be set no matter what. The if conditions we had inside the main if condition...

jamesmkrieger

Is there a way to disable logger output in notebook?

13

Hi, I'm looking for some methods to disable the LOGGER output to the console. I'm doing a test with ANMs built intensively. The logger info printed is quite annoying and...

zllion

PCA Analysis

2

Hello, Im trying to do PCA Analysis with ProDy. I downloaded the ProDy in its website and clone the scripts from here to my Prody folder in the python's site...

ezgisoydemir

Extend ClustENM kwargs for more functionality

4

Here are some suggested improvement for ClustENM that are helpful for Scipion. - Add more kwargs for ANM options to include sparse and kdtree for buildHessian and turbo for calcModes...

jamesmkrieger