Legal Notice. Molecular Operating Environment Copyright © 1996-2018 Chemical Computing Group Inc. All rights reserved. This software is confidential and the production of this medium does not constitute publication. This software is for use solely under the conditions of and in accordance with a written and signed software license agreement between a user and Chemical Computing Group Inc. or an authorized distributor ( more ).
Select one of the following links to download MOE 2018:
Platform | MOE | Data File (Required for ALL Installers) | Instructions |
---|---|---|---|
Windows (32 and 64bit) ① | Installer (508M) | Required Data File (3.9G) | View |
Linux (64bit) | Installer (515M) | View | |
Linux (32bit) | Installer (521M) | View | |
Mac OS X/macOS (32 and 64bit) ② ③ | Installer (4.3G) | View | |
Archive for All Platforms | TAR Gzip (4.4G) | View | |
Archive for All Platforms | ZIP File (4.4G) | View | |
License Manager | TAR Gzip (13M) | View | |
License Manager | ZIP (13M) | View |
The 64-bit Mega is made available in two interfaces: graphical and command line. The graphical user interface (GUI) is a native Microsoft Windows application that can also be used on Mac OS X. The command line Mega is available as native applications for Windows, Linux, and Mac OS X. They are intended for use in high-throughput and scripted. May 19, 2020 The Molecular Expressions website features hundreds of photomicrographs (photographs through the microscope) of everything from superconductors, gemstones, and high-tech materials to ice cream and beer. Cross-Platform: Molecular builder/editor for Windows, Linux, and Mac OS X. Free, Open Source: Easy to install and all source code and documentation is available to modify or extend.; International: Translations into Chinese, French, German, Italian, Russian, Spanish, and others, with more languages to come.; Intuitive: Built to work easily for students and advanced researchers both. MEGA is an integrated tool for conducting automatic and manual sequence alignment, inferring phylogenetic trees, mining web-based databases, estimating rates of molecular evolution, and testing evolutionary hypotheses.
Each link provides the complete MOE software including binaries for all platforms. The specific links above indicate the operating system on which the installer will be run.
Data File is required for the MOE Installers of all platforms.
- All Installers share the same Data File. If you are downloading multiple installers, download the Data File for only once.
- Data File is not required for Archives.
① Internet Explorer might remove the file extension (.exe) from the executable files downloaded.
If this happens, please add the .exe extension back and then start the installation.
② If Safari is used to download the Data File, make sure the file is not unzipped automatically:
Prefrences from Safari menu -> General tab -> Uncheck the box of Open 'safe' files after downloading.
③ The installer for Mac OS X/macOS requires Java 1.5 or 1.6.
If this happens, please add the .exe extension back and then start the installation.
② If Safari is used to download the Data File, make sure the file is not unzipped automatically:
Prefrences from Safari menu -> General tab -> Uncheck the box of Open 'safe' files after downloading.
③ The installer for Mac OS X/macOS requires Java 1.5 or 1.6.
Should you encounter HTTP Error 403 or other problems when clicking on the above links, please contact our help desk .
MOE Databases:
Name | Update | Windows | Archive | Description |
---|---|---|---|---|
chEMBL Library | Release 20 | Self-Extract (1.3G) | Gzip (1.3G) | View |
Download | Download | |||
chEMBL Library - lightweight fragments * (molecular weight <= 150) | Release 20 | Self-Extract (104M) | Gzip (111M) | View |
Download | Download | |||
Linker Library | 2010-10-26 | Self-Extract (1.1G) | Gzip (1.1G) | View |
Download | Download | |||
Lead-Like | 2008-10-08 | Self-Extract (1.9G) | Tar Gzip (2.6G) | View |
Download | Download |
* chemblr20_150 is already included in the complete package of chemblr20_frags (1.3G) .
Windows Instructions:
Download the Installer (moe2018_01_installer_win.exe) and the Data File (moe2018_01_installer_datafile.zip) to the same folder.
* Make sure the files are NOT saved in the installation target folder. For example, if MOE will be installed to c:moe2018' , save the Installer and the Data File in a different location than c:moe2018' .
* Do NOT extract the ZIP file.
* Make sure the files are NOT saved in the installation target folder. For example, if MOE will be installed to c:moe2018' , save the Installer and the Data File in a different location than c:moe2018' .
* Do NOT extract the ZIP file.
Double-click moe2018_01_installer_win.exe .
Windows 8, 8.1 and 10 : If Windows SmartScreen pops up, click 'More Info' and then 'Run anyway' as illustrated below.
Do NOT click 'Ok', which prevents the installer from running.
Do NOT click 'Ok', which prevents the installer from running.
Internet Explorer might remove the file extension ( .exe ) from the executable files downloaded.
If this happens, please add the .exe extension back and then start the installation.
If this happens, please add the .exe extension back and then start the installation.
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Linux Instructions:
Download the Installer and moe2018_01_installer_datafile.zip to the same folder.
* Make sure the files are NOT saved in the installation target folder. For example, if MOE will be installed to /usr/local/moe2018/ , save the Installer and the Data File in a different location than /usr/local/moe2018/ .
* Do NOT extract the ZIP file.
* Make sure the files are NOT saved in the installation target folder. For example, if MOE will be installed to /usr/local/moe2018/ , save the Installer and the Data File in a different location than /usr/local/moe2018/ .
* Do NOT extract the ZIP file.
Open a shell and cd to the directory where the files were downloaded. At the prompt, type:
32bit installer: - sh ./moe2018_01_installer_linux32.bin
- sh ./moe2018_01_installer_linux64.bin
* A Java virtual machine (JVM) is included with this download. It will be loaded as part of the installer, but the JVM will NOT be installed as part of MOE.
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Mac OS X/macOS Instructions:
Download the Installer and the Data File (moe2018_01_installer_datafile.zip) to the same folder.
* Make sure the files are NOT saved in the installation target folder. For example, if MOE will be installed to /Applications/moe2018/ , save the Installer and the Data File in a different location than /Applications/moe2018/ .
* Do NOT extract the ZIP file.
* Make sure the files are NOT saved in the installation target folder. For example, if MOE will be installed to /Applications/moe2018/ , save the Installer and the Data File in a different location than /Applications/moe2018/ .
* Do NOT extract the ZIP file.
Double-click moe2018_01_installer_macosx.zip and wait until the installer zip file is extracted.
Double-click on the extracted Application of moe2018_01_installer .
* A Java installation is required. It is available from developer.apple.com
If the following warning or similar message appears:
- moe2018_01_installer_macosx.zip is damaged and can't be opened. You should move it to the Trash.
- Apple menu -> System Preferences -> Security & Privacy -> General tab.
- In the option list of 'Allow Applications downloaded from', select 'Anywhere'.
- Install MOE.
- After MOE is installed, the Gatekeeper setting can be reverted.
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Archive Instructions:
The archives are provided to users as a convenience for large-scale script-based deployment.
Linux, Mac:
- Extract using the following command:
$> tar xvzf moe2018_01_archive.tgz
Windows:
- Extract using a file archiver software such as 7-Zip
Zip File:
- In a File Explorer, right-click on moe2018_01_archive.zip .
- Select 'Extract All..' in the pop-up menu.
- Change the targeting path to a desired location, e.g., c:moe2018', then click 'Extract' button.
Windows 8, 8.1 and 10 : If Windows SmartScreen pops up when starting MOE 2016.08:
- Click ' More Info ' and then ' Run anyway ' as illustrated below.
- Do NOT click 'Ok', which prevents MOE from running.
- Windows SmartScreen only pops up when MOE 2016.08 runs for the first time, and should not appear again.
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chEMBL Library:
Molecular Mass Of Koh
MOE's SD Pipeline Command Tools were used to generate fragments from Release 20 of the ChEMBL database of bioactive drug-like small molecules. The resulting database of conformations, chemblr20_frags.mdb, for approximately 830,000 fragments, is suitable for Scaffold Replacement or combinatorial chemistry methodologies.
This file is optional and can be saved in a convenient location such as on a network share or on the local disk (e.g., $MOE/opt ).
chemblr20_150.mdb is a library of lightweight fragments (molecular weight <= 150) that would be useful for calculations such as Add Group to Ligand or as a Combinatorial library.
Download the archive to the desired directory and extract the contents:
Linux, Mac:
Mac Os Catalina
- $> gzip -d chemblr20_frags.mdb.gz
- $> gzip -d chemblr20_150.mdb.gz
Windows:
- Double-click on the chemblr20_frags.exe or chemblr20_150.exe file to extract the database.
The downloaded file may be deleted once the database has been extracted.
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![Molecular mass of coh2 Molecular mass of coh2](https://www.macinchem.org/blog/files/interfaceraw.png)
Linker Database:
The MOE Linker Database contains conformations for approximately 750,000 fragments suitable for scaffold replacement methodologies. The fragments were generated using MOE's SD Pipeline Command Tools from 4.3 million unique structures from medicinal chemistry literature and vendor catalogs. On average there are 24 conformations per molecule.
This file is optional and can be saved in a convenient location such as on a network share or on the local disk (e.g., $MOE/opt ).
Download the archive to the desired directory and extract the contents:
Linux, Mac:
- $> gzip -d linker_2010_10.mdb.gz
Windows:
- Double-click on the linker_2010_10.exe file to extract the database.
The downloaded file may be deleted once the database has been extracted.
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Leadlike Conformer Databases:
The MOE Conformation Database set contains 3D conformations in MOE Molecular Database format (.mdb) for approximately 650,000 (Oprea) lead-like chemical structures. These are ready to be used for pharmacophore searching, fingerprint analysis, and so on. The structures were obtained from approximately 40 vendor catalogs. The conformations were generated with the MMFF94x forcefield using Conformation Import in MOE. A limit of 4.5 kcal/mol strain energy was imposed with a 500 conformation limit for each molecule. Duplicate conformations were removed with a heavy atom RMSD tolerance of 0.6 angstroms (0.75 angstroms for conformations with strain greater than 3.5 kcal/mol). Return to civilization mac os.
This file is optional and can be saved in a convenient location such as on a network share or on the local disk (e.g., $MOE/opt ).
Download the archive to the desired directory and extract the contents:
Linux, Mac:
- $> tar xvzf leadlike_conf.tgz
Windows:
- Double-click on the leadlike_conf.exe file to extract the database.
The downloaded file may be deleted once the database has been extracted.
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License Manager
- Contains ONLY the utilities of the License Manager, for License Servers that DO NOT run MOE.
- Already included in the installations of MOE 2018.01.
- ZIP and Tar Gzip files contain the same contents and are interchangeable.License Manager Upgrade Instructions:
Linux, Mac:
- Extract to an appropriate directory using the following command:
$> tar xvzf moe2018_01_license_manager_11.14.1.2.tgz - Copy the extracted folders into to your existing MOE installation directory, and overwrite existing files.
- When being prompted about merging folder contents, click Yes to merge folders and overwriting files.
- Follow the MOE License Installation Guide to configure and start/restart the license manager.
Windows:
- Extract to an appropriate directory using a file archiver software such as 7-Zip
- Copy the extracted folders into to your existing MOE installation directory, and overwrite existing files.
- When being prompted about merging folder contents, click Yes to merge folders and overwriting files.
- Follow the MOE License Installation Guide to configure and start/restart the license manager.
Zip File:
- In a File Explorer, right-click on moe2018_01_license_manager_11.14.1.2.zip.
- Select 'Extract All..' in the pop-up menu.
- Change the targeting path to a desired location, e.g., c:moe2018, then click 'Extract' button.
- Copy the extracted folders into to your existing MOE installation directory, and overwrite existing files.
- When being prompted about merging folder contents, click Yes to merge folders and overwriting files.
- Follow the MOE License Installation Guide to configure and start/restart the license manager.
Mac OS X and macOS are registered trademarks of Apple Computer, Inc .
Windows is a registered trademark of Microsoft Corporation .
All other marks are properties of their respective owners.
Windows is a registered trademark of Microsoft Corporation .
All other marks are properties of their respective owners.
© 2016 Chemical Computing Group Inc. All rights reserved www.chemcomp.com |
Windows & Mac
This button will automatically create an icon on your desktop. Click the icon to start Molecular Workbench.
Linux
Right-click this link and save it to your desktop. It will create a file '
MW.jnlp
.' Click that file to start the Molecular Workbench software.Alternatives
Alternative methods of using Molecular Workbench include:
- Running without Java Web Start»
- Using MW applets»
- Downloading an offline version»
Something you should know about the Molecular Workbench software..
MW runs on Windows, Mac OS X v10.4+, and Linux. The only requirement is that the Java Runtime Environment (JRE) of Java 2 Platform, Standard Edition (J2SE) v1.5 or higher version must be installed. If you are a Windows or Linux user, and have not installed the required Java software, please download or update it from java.com. The entire Java installation process is Web-based and automatic, similar to installing Macromedia Flash. Mac OS X users can update to the latest Java through the 'Software Update ..' item in the menu under the Apple Logo in the screen menu bar.
If you are in a network that prevents you from installing anything (as networks in most schools do), please contact your network administrator. Banana foolishness mac os.
MW is a simulation program that needs considerable horse power of your computer. It is strongly recommended that you run MW when there are no other visible programs or hidden processes (e.g. a virus scan, a backup job, and so on) running at the same time. If possible, we suggest that you also quit the currently opened programs that use a lot of computer memory. Doing so would help speed up MW and the Java Virtual Machine that supports it. You may find that MW launches slowly initially. That is because the Java Virtual Machine needs to boot before MW can run, which is a process that could take a while depending on your system. But once the Java Virtual Machine is up, MW should run faster. If you expect to have no Internet connection at all, you should download an offline version.
Installation without Java Web Start
Some of our users have reported that MW cannot be installed or launched through Java Web Start (caused by many factors, including Java bugs, their network settings, Apple updates, just to name a few). The alternative is to download the Java executable 'mw.jar' to your disk and double-click on it to run MW. When you download 'mw.jar', it is important that you do not rename the jar file--the file name must be exactly 'mw.jar' (all lower case). If you rename the file, MW will complain about it and will not launch (this is a security measure we built into MW to protect your computer system).
Windows users
- Install the latest Java software, if you have not.
- Click this link to save mw.jar on your disk. Do not rename the file--the file name must be exactly 'mw.jar'.
- Double-click once and only once on mw.jar to launch MW. On some old machines, the launching process will take a while. Please wait.
- To run MW again, just double-click mw.jar. You need not repeat the first two steps when you want to run it again.
Mac OS X users
You must have OS 10.4 or higher version and Java 1.5 or higher version. If you do not have the required Java version, please update through the Software Update utility. Once you make sure that you have the required Java software, right-click or CTRL+click this link: mw.jar and save the file to your disk. Do not rename the file--the file name must be exactly 'mw.jar'. After downloading it, simply double-click once and only once on it to launch MW.
Linux users
You need to install the latest Java Runtime Environment first, then download the file given by the following link: mw.jar. Double-click on mw.jar to launch MW. If it does not launch, open a x-terminal, change to the directory where it is located, and type in the following command: java -jar mw.jar. If the java command is not recognized, please also include the path (e.g. /usr/local/jdk1.6/bin, if Java is installed in the /usr/local/jdk1.6 directory).
For more information about troubleshooting, please read the FAQ. Robot island prologue mac os.
Download Source Code
We recommend that the Eclipse IDE be used to get the source code. You can access it through https://svn.concord.org/svn/projects/ using SVN. Once you connect to our SVN server, check out trunk/common/java/simulations/mw/. The source code can also be browsed online.
Molecular Mac Os Catalina
When you run it, make sure to set a system property called
mw.nosecurity
to be true
in the launching command. Otherwise, the application will just hang. To protect your users from malicious code that could be plugged into an MW page, however, this property should not be set when you deploy your build.