Moe Molecular Operating Environment Download
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Discussion in 'PC Apllications' started by apple2000, Jan 25, 2020.
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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 |
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.
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) .
download dolby access for android 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.
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.
Internet Explorer might remove the file extension ( .exe ) from the executable files downloaded. How to play beamng drive without download.
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.
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.
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.
Moe Molecular Operating Environment Download
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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:
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:
- $> gzip -d chemblr20_frags.mdb.gz
- $> gzip -d chemblr20_150.mdb.gz
Molecular Operating Environment (moe) 2015.10 Download
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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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).
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.
| © 2016 Chemical Computing Group Inc. All rights reserved www.chemcomp.com |