Personal tools
Document Actions

Release 1.4.3 announcement

by Sargis Dallakyan last modified 2007-01-12 14:03
We are pleased to announce the release of version 1.4.3 of our software
tools including: PMV, ADT and VISION.

Binary distributions are available for LINUX, Mac OS X and Windows at:
http://mgltools.scripps.edu/downloads from a fully redesigned web site which
no longer requires the user to log in for downloading.

The binary distributions contain:
- a precompiled Python interpreter version 2.4; (except for windows)
- PMV, ADT, VISION and all dependent Python packages.

INSTALLERS:
- PackageMaker-based installer - Mac OS X (.dmg extension);
- InstallJammer-based installers - Linux and Windows.
Note: the windows installer has to be run after Python 2.4 has been installed.


LICENSE AGREEMENTS:
--------------------------------------
The license agreements are provided on the download site
and also can be found in the LICENSE file of the distribution.

NEW FEATURES:
--------------------------
ADT:

ConformationPlayer:
-added more AD4 log information to info message

DlgParser:
-added keywords for component energy terms such as 'moving_ligand_fixed_receptor'
-added support for reporting seeds from AD4 dockinglogs
-added support for reporting WARNING messages from dockinglogs.

Docking:
-Now user can look at WARNING messages from the docking log in ADT

DockingParameters:
-added rmsatoms, rmsatoms_flag, rmsref_flag, unbound_flag, unbound_intnbp_coeffs,
unbound_intnbp_coeffs_flag and flexres keys
-added support for setting set_psw1/set_sw1 to DockingParameter class.

MoleculePreparation:
-added support for not changing names of aromatic carbons for AutoDock4 by adding a new
input parameter for the AromaticCarbonManager class: "rename" which is False for v.4

atomTypeTools:
-now force renameAtoms to always be 0 for an autodock4 atomTyper
-updated recognition of lonepairs by adding possibility that the element could be 'Lp' or 'lp'

autodpfCommands:
-added Dpf4FlexResSelector command
-changed torsdof4 to be ligand.TORSDOF
-added gui support for new DockingParameters which include rmsatoms, rmsatoms_flag,
rmsref_flag, unbound_flag, unbound_intnbp_coeffs, unbound_intnpb_coeffs_flag and flexres

autotorsCommands:
-added code to hide root sphere if ligand deleted and to reset the set torsion widget if the
ligand was deleted

PMV:
- added support for rendering secondary structures in DNAs/RNAs
- helpCommands.py is added to provide About-->Help widget.
- added progressBar to APBS Web Services.
- added Open DX reader to Grid commands.
- added a command to build coarse molecular surface.


Vision:
- parenting system is now compatible with geoms imported from pmv
- introduced real 3d labels

DejaVu:
- editable color palette to modify predefined atom's colors
- several mode of stereo vision (including shutter glasses and polarised projection),
- improved tile renderer (works also with stereo vision modes)
- added NucleicBases.py for displaying Nucleic Bases.

Volume:
- Binary AVS Field data parser is added.
- added all supported files in ReadAnyMap node.

And of course many bug fixes across all packages.

SUPPORT:
---------------
The following mailing lists are available:

-autodock: a community of AutoDock, AutoGrid and AutoDockTools (ADT) users
with lots of experience to share
http://mgldev.scripps.edu/mailman/listinfo/autodock

-pmv for questions regarding the use of PMV;
http://mgldev.scripps.edu/mailman/listinfo/pmv

-vision for questions regarding the use of VISION;
http://mgldev.scripps.edu/mailman/listinfo/vision

-MGLTools support for questions regarding installing the MGLTools.
http://mgldev.scripps.edu/mailman/listinfo/mglsupport

Please visit our Frequently Asked Questions page if you have any problems
installing or running our tools.
http://mgltools.scripps.edu/documentation/how-to/how-to-contact-us/faq


For other inquiries, send an email to mgltools mgltools@scripps.edu

More information can be found on our web site at
http://mgltools.scripps.edu

Thank you for using our tools.


The MGLTools development team

Powered by Plone CMS, the Open Source Content Management System

This site conforms to the following standards: