altmod | MODELLER plugin - altMOD is a MODELLER | Machine Learning library
kandi X-RAY | altmod Summary
kandi X-RAY | altmod Summary
altMOD is a MODELLER ([1] plugin for improved 3D homology model building. Right now, it allows to incorporate in the program's objective function terms for interatomic distances statistical potentials, such as DOPE [2] and DFIRE [3]. The effect of adding statistical potentials in the objective function of MODELLER is described in Revisiting the "satisfaction of spatial restraints" approach of MODELLER for protein homology modeling" (Janson et al., 2019). In a benchmark with 225 single-template homology models, we found that the inclusion of DOPE in the objective function of MODELLER brings an average improvement of 1.3% and 2.0% in GDT-HA [4] and lDDT [5] and a large improvement of -29.8% in MolProbity scores [6]. The altMOD package also contains code for easily running MODELLER with user-defined parameters for homology-derived distance restraints (see the examples folder).
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Top functions reviewed by kandi - BETA
- Implementation of HomCSR method
- Analyze the optimal target template pair
- Return the minimum value of the model
- Returns the code for a modeller res code
- Rebuilds the LODELLERS file
- Get the mean and standard deviations for each template
- Return a list of all template files in the PIR alignment directory
- Apply a multi - gaussian
- Calculate the RST field
- Adjust value to absolute value
- Compute the distance between two atoms
- Return a modeller atom from a modeller residue
- Calculate the distance between two modeller angles
- Run the Adam algorithm
- Optimize a structure
- Cluster PDB files
- Set custom hddr options
- Set the target structure
- Build a homCSR file
altmod Key Features
altmod Examples and Code Snippets
Community Discussions
Trending Discussions on altmod
QUESTION
I am using the following packages:
...ANSWER
Answered 2018-Jul-18 at 21:45You should have a look at the following packages:
- salem and the region of interest example
- regionmask
Both may get you to what you want.
QUESTION
I have a Traits/UI (chaco) plotting application, which runs fine in the root environment of my Anaconda 64-bit installation, on 64-bit Ubuntu 16.04. However, when I try to run it from a 32-bit environment, which I created for testing, it fails.
It appears to be defaulting to the "null" graphical back-end toolkit for some reason, giving me a stack trace, which ends thusly:
File "/home/dbanas/anaconda2/envs/pybert_32/lib/python2.7/site-packages/enable/toolkit.py", line 40, in _init_toolkit format_exception_only(t, v)) ImportError: Unable to import the image backend for the null toolkit (reason: ['ImportError: libGL.so.1: cannot open shared object file: No such file or directory\n']).
So, I realized that I didn't have 32-bit Gtk+ library support installed on my system. I installed that. And, now, the application segment faults when I launch it in my 32-bit environment! Here is the stack trace, from gdb:
...ANSWER
Answered 2017-Feb-09 at 15:28The problem was missing 32-bit libraries, which is not surprising, since I'm running 64-bit Ubuntu. However, getting the system to tell me which libraries were missing required changing the Python GUI application from the qt4 back-end to the wx back-end, like so:
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