Tag: Molecule

UCSF Chimera 1.14 – Molecular Modeling System

UCSF Chimera 1.14

:: DESCRIPTION

UCSF Chimera is a highly extensible program for interactive visualization and analysis of molecular structures and related data, including density maps, supramolecular assemblies, sequence alignments, docking results, trajectories, and conformational ensembles. High-quality images and animations can be generated. Chimera includes complete documentation and several tutorials, and can be downloaded free of charge for academic, government, non-profit, and personal use.

::DEVELOPER

the Resource for Biocomputing, Visualization, and Informatics (RBVI) at UCSF

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux /  MacOsX / Window

:: DOWNLOAD

UCSF Chimera

:: MORE INFORMATION

Citation:

UCSF Chimera–a visualization system for exploratory research and analysis. Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE. J Comput Chem. 2004 Oct;25(13):1605-12.

Rchemcpp 2.24.0 – An R package for Computing the Similarity of Molecules

Rchemcpp 2.24.0

:: DESCRIPTION

Chemcpp is an R package that is the computation of similarities between molecules by kernel functions.

::DEVELOPER

Institute of Bioinformatics, Johannes Kepler University Linz

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Windows/ Linux / MacOsX
  • R
  • BioConductor

:: DOWNLOAD

Rchemcpp

:: MORE INFORMATION

Citation

Rchemcpp: a web service for structural analoging in ChEMBL, Drugbank and the Connectivity Map.
Klambauer G, Wischenbart M, Mahr M, Unterthiner T, Mayr A, Hochreiter S.
Bioinformatics. 2015 Oct 15;31(20):3392-4. doi: 10.1093/bioinformatics/btv373.

XDrawChem 1.9.9 – Molecule Structure Drawing

XDrawChem 1.9.9

:: DESCRIPTION

XDrawChem is a two-dimensional molecule drawing program. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry applications, and it can create images in popular formats like PNG and EPS.

::DEVELOPER

Bryan Herger , bherger@users.sourceforge.net

:: SCREENSHOTS

:: REQUIREMENTS

:: DOWNLOAD

XDrawChem

:: MORE INFORMATION

3D Molecular Models 1.1.2 – Manipulate 3D Models of Molecules for Android

3D Molecular Models 1.1.2

:: DESCRIPTION

3D Molecular Models is an application that allows you to view, rotate … manipulate 3D models of molecules that all we ever heard or studied, besides giving us interesting details about them.

::DEVELOPER

MobSolutions4All

:: SCREENSHOTS

3DMolecular

:: REQUIREMENTS

  • Android

:: DOWNLOAD

 3D Molecular Models

:: MORE INFORMATION

jlogP 2.3 – Calculates Hydrophobicity & Molecular Formula of Molecules

jlogP 2.3

:: DESCRIPTION

jlogP is a java applet to calculate the hydrophobicity and molecular formula of molecules drawn by the user.

::DEVELOPER

Brian White

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows / Linux / MacOSX
  • Java

:: DOWNLOAD

jlogP

:: MORE INFORMATION

Jimp 2 0.091 – Visualize and Manipulate Molecules

Jimp 2 0.091

:: DESCRIPTION

Jimp is a free program for visualizing and manipulating molecules.

::DEVELOPER

Josiah Manson and Charles Edwin Webster under the supervision of Dr. Michael Hall

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows/Linux

:: DOWNLOAD

 Jimp

:: MORE INFORMATION

Citation

Hall, M. B.; Fenske, R. F. Inorg. Chem. 1972, 11, 768.

StrukEd – Editor for Molecules & 3D Viewer

StrukEd

:: DESCRIPTION

StrukEd is not only an editor for molecules that allows the input of chemical structures in a very comfortable way. Additionally, StrukEd can import the results of a variety of quantum-chemical methods and can visualize these results at a sophisticated level.
The Input of Molecules is supported by extensive fragment and functional groups libraries; these can easily be changed and extended on user’s demand. StrukEd checks the created structures in terms of their chemical plausibility, thus providing help for the user in order to avoid errors.
The program generates a 3D model starting from the valence bond input. According to its quality, this model can be used to visualize bond lengths, angles and torsion angles of the three-dimensional structure as well as an input for other optimization programs.

::DEVELOPER

Jörg Dettmann ,QCsoft

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows

:: DOWNLOAD

StrukEd

:: MORE INFORMATION

Contact

WinDrawChem 1.6.2 – Molecule Structure Drawing

WinDrawChem 1.6.2

:: DESCRIPTION

WinDrawChem is a freeware two-dimensional molecule drawing program for Windows. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles to allow sharing between XDrawChem and other chemistry applications, as well as read ChemDraw binary and text files.

::DEVELOPER

Bryan Herger , bherger@users.sourceforge.net

:: SCREENSHOTS

:: REQUIREMENTS

:: DOWNLOAD

WinDrawChem

:: MORE INFORMATION

WinDrawChem is distributed under the terms of the GNU General Public License. There is also additional copyright information. These files are also included in the distribution.