MODELLER implements comparative protein structure modeling by satisfaction of spatial restraints (3,4), and can perform many additional tasks, including de novo modeling of loops in …

The user provides an alignment of a sequence to be modeled with known related structures and MODELLER automatically calculates a model containing all non-hydrogen atoms. This web …

MODELLER is available free of charge to academic non-profit institutions; you will, however, need to register for a license in order to use the software. It is also available through BIOVIA for …

2024年10月17日 · EnergyData.dynamic_modeller — calculate non-bonded spline restraints; EnergyData.excl_local — exclude certain local pairs of atoms; EnergyData.radii_factor — …

For a step-by-step guide to building models with Modeller, with specific examples ranging from the basic to the difficult, try the Modeller tutorial. Documentation is also available for older releases …

Wishlist: features desired in future Modeller releases. Patches: hotfixes for problems with the current Modeller release. Old operating systems: workarounds for using Modeller on old …

For example, to run this script using Modeller 10.0's own interpreter, use mod10.0 build_profile.py. Note that mod10.0 automatically creates a build_profile.log logfile. (You can …

To obtain a MODELLER license key (which you need to install and run MODELLER) please fill out the following License Agreement. Note that MODELLER is available free of charge only to …

(See below for example scripts.) (Modeller itself can be found in the /Library/modeller-10.5/ directory.) Note that Modeller is only set up to work with the standard Apple-provided Python, …

Modeller execution under Windows from the command line Modeller does not have a graphical user interface but is a command line tool. You have to open a command prompt window and …