This page gives instructions on how to download the software you will need for organic chemistry labs. All of them are either free for everyone to use, or free for students at CU because we have a site license.
- MestreNova for 1D. Cara for 2-3 good for protein assignment. INMR is a software available on Mac or Windows you can download in demo mode for use of select features with no expiration.
- Do not download the free trail, click on Downloads and download and install the latest MestReNova version for Mac or PC. Open MNova and add the three license files you accessed previously. Filezilla Software: Filezilla is free software, search to download a free version. Each time you perform an experiment, it is your.
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Alternatively find your data in the Windows (or Mac) folder, click-hold and drag onto the MNova icon. This opens MNova and your data in it. A note about settings: - Paper size: Go to File - Page setup. Change Page size to say Letter (8.5 X 11 inches). Check this every time you install a new version. MestreLabs is a Spanish company so. MestReNova(简称Mnova)是西班牙Mestrelab Research公司开发的科学软件，有面向Windows、Mac 和Linux的版本,是目前世界上功能最强，在学术界和工业界应用最广的软件产品之一。.
VPN (Virtual Private Network) software allows you to connect to the internet via the campus servers. Many of CU's resources require you to either be on-campus, or use VPN to access them. Instructions for downloading the recommended VPN program (currently Cisco AnyConnect) are given on the OIT website. Make sure that after you install the program, you set it up according to the instructions OIT gives you at the link above! Otherwise it won't work.
Mac users: If you're running Catalina, you may need to go through some extra steps. Rather than downloading 4.8, you'll have to download 4.6 and then upgrade it. If you're running an older Mac OS, you'll have to just use 4.6. OIT has more instructions at the link above.
ChemDraw and Other Chemical Drawing Programs
ChemDraw is installed on all the computers in the organic chemistry labs and helproom; feel free to use it at any time that the labs are open. ChemDraw is also installed in a large number of computer labs around campus. To find a computer lab that has ChemDraw, you can use the OIT Lab Software Search Page.
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CU Boulder has purchased a site license for the current version of ChemDraw, so it is free to all students. To download and install a copy of this program on your own Mac or PC, go to the OIT ChemDraw page. You can download the program for Mac or PC, plus the activation code. There is also an in-depth User Guide available on the OIT page.
There are also several free alternatives to ChemDraw available, such as MarvinSketch and ChemDoodle. These programs are also perfectly acceptable to use for preparing your lab reports, but the organic lab staff might not have much experience using these programs and will not necessarily be able to help you.
Excel and Other Spreadsheet Programs
Excel is part of Microsoft Office Suite, which is available on the computers in the chemistry labs and help room, as well as most of the computers in the computer labs on campus. To find a computer lab that has Excel, you can use the OIT Lab Software Search Page. CU also allows students to download and use Office 365 ProPlus for free. Instructions on how to do so are located on the OIT website.
There are also several free alternatives to Excel available, such as Google Spreadsheets and LibreOffice Calc. These programs are also perfectly acceptable to use for preparing your lab reports, but the organic lab staff might not have much experience using these programs and will not necessarily be able to help you.
MestreNova
MestreNova (or MNova) is installed on all the computers in the organic chemistry labs and helproom; feel free to use it at any time that the labs are open. CU Boulder has purchased a site license for MestreNova, so you may download and install a copy of this program on your own Mac, PC, or Linux machine. Note that you must be able to connect to the campus servers to download the license file, and also to activate it. If you're on-campus, you must connect to the internet via UCB Wireless, not UCB Guest. If you're not on campus, you will need to use VPN as described above. Make sure that you're actually setting up and running VPN according to OIT's instructions! Just downloading the VPN will not do anything.
First, if you have an older version of MestreNova installed, uninstall it.
To download the software, go to the OIT MestreNova page and save the most recent installation package on your computer, along with the license zip file.
Run the MestreNova installer. When you are asked what modules you want to install, uncheck the entire 'MestreNova Plugins' list (every plugin should have a red X next to it), but then select 'NMR Plugin'. This is the only plugin for which we have a license. Your list should look like this:
If you try to install modules for which we don't have a license, you might have to uninstall and then reinstall correctly. Mac Users: You will need to click on 'MestReNova' in the top left corner of the screen (near the apple) and then click 'Preferences' from the drop-down list. From the 'Preferences' pop-up box you can click 'Plug-ins' from the icons at the top of the box and 'ignore' everything except the 'NMR' option.
When you run MestreNova for the first time, you should see the 'Registration Wizard'. (If you don't, select 'Get/Install Licenses...' under the [Help] pulldown.) Click on [Install], and navigate to wherever you saved the license file. Select that license file (if it asks if you want to replace your previous license file, choose 'Yes'). You should see a confirmation message indicating that the license file was installed correctly. Click [OK]. After you have installed all licenses, you will need to restart MNova. Look in the bottom right corner of the window (or check the License Manager under [Help]), and you should see a green checkmark:
If you see the green checkmark, MNova should be ready to use. Mac Users: You may have to go through these steps the first time you run the program. If the 'Registration Wizard' window pops up again and again each time you restart MestreNova, it's because you selected the wrong modules to install. Uninstall the program and start over.
If the program was unable to contact the license server, there will be a red X in the bottom right corner and you will see a popup about being unable to contact the server. In this case, first make sure you have followed all the instructions above (especially the part about being connected to UCB Wireless, not UCB Guest!) Mac Users: You may need to go through a few extra steps to fix this issue. First, go to the Help menu, open the License manager, and delete all the licenses. Then, reinstall them from the zip file containing all the licenses, not the extracted folder.
Now that your copy of MestreNova is activated, it will run for up to 90 days without needing to communicate with the license server again. Every time you use the software when you are connected to the campus network, it will automatically update your license extending your time for another 90 days. Therefore, you can use the software offline, away from the campus network for up to 90 days. After this time, however, you will either need to connect by VPN again, or bring your computer onto campus.
What If You Don't Get Your Spectra?
There are several reasons why you might not receive your spectra, or might not be able to open them. This troubleshooting guide should help you fix any issues.
- If you haven’t received an email with your spectrum: You might have input your email incorrectly, or the NMR server might have been unable to send emails for a while. Check the NMR server to see if your spectrum is there by following all these steps:
- Make sure you're either on-campus using UCB Wireless (not UCB Guest) or on VPN.
- Go to the NMR fileserver page. Your browser might complain about the website's security certificate, but you should be able to select 'Continue to website' or something similar. Depending on your browser, this may be listed under advanced options.
- Sign in using the username 'student' and the password '$NMR300' (not your IdentiKey - this won't work).
- Double-click the NMR Data folder. Once it opens, you should see a window with a menu tree in the left pane and some files in the main pane. If not, you might need to click the 'fullscreen' button in the upper right of the window (it looks like a small grey box).
- Go to OChem_Lab → nmr. Then click 'Filter' in the upper right and type in part of your filename. Folders are named as 'Semester_SectionNumber_Initials_SampleName'. So if it's Spring 2019, you're in section 201, your initials are XYZ, and you named your sample 'Acetylferrocene', then your folder will be named 2019S_201_XYZ_Acetylferrocene).
- Select your folder but don't open it. Instead, go to Action → Download. The folder should download as a zip file. You can now work up the spectrum in MestreNova, assuming it contains a FID file; if not, see below for more help.
- If you haven’t received an email and your folder is not on the server: It hasn't been run in the NMR machine yet. Check to see if any of your classmates have spectra available for this lab yet - if most of them are done, it's possible your sample was skipped for some reason. In this case, visit the NMR room at any time that labs are running so you can resubmit it to the queue.
- If you have your folder but there's no FID file inside it: This happens when the tube is successfully inserted into the machine, but the spectrum never gets collected. Often this is because something is wrong with the sample preparation (label is badly wrapped, too much solid precipitate in tube, solvent too low, or non-deuterated solvent). In this case you will have to visit the NMR room at any time that labs are running so you can fix whatever needs fixing and resubmit it to the queue.
- If you have your folder and there's a FID file inside it, but MestreNova won't open it: First, check the bottom right corner of MestreNova. If there's a red circle, something went wrong with your installation so you'll have to try again. If there's a green circle, your license is set up properly. There are two options for opening spectra: either open the entire zipped folder, or unzip the folder and then open the FID file. To unzip a folder in Windows, right-click and select Extract All.
SciFinder and ACS Literature
SciFinder is the most powerful literature-search tool available for chemists, and will allow you to find any compounds with the same or a similar structure to your compound. Before you can use SciFinder, you will need to request an account. Go to the CU library's website and follow the directions there. Once your account has been created, you can log in by going to SciFinder's home page. You must be on campus or using VPN.
The CU Boulder Libraries have recently made a change to off-campus access for the American Chemical Society (ACS) publications. ACS publications will no longer be accessible using the campus VPN. Instead, users will need to log-in to the Library’s EZProxy. You can also lookup particular journal titles that are available electronically by going to the Libraries homepage and then clicking on the link to E-Journals (underneath that big box that says Find Articles) and search for the journal you need. If you are off-campus you will be asked for your identikey username and password. For more information, including a link to a browser extension that makes it easier for you to access Library resources off-campus, click here.
The School of Chemistry and Biochemistry has purchased a site license for the MestreNova NMR software as well as the qNMR and Reaction Monitoring plugins. The software is available to all GT faculty, staff, and students. In order to use the software, you should obtain the software, plugins and associated license files from software.oit.gatech.edu.
Windows Install
1. Download the MestreNova msi installer and GT_campus_Mnova_NMR_v1.13.lic files from software.oit.gatech.edu. Also download the zip files and license files for the qNMR and Reaction Monitoring (RM) plugins if desired.
2. Double click the MestreNova installer msi file. Click Next.
3. Accept the terms and click Next
4. Click Next
5. Select the desired components and click Next
6. Click Install
7. Click Finish
8. Open MestreNova NMR. The Registration Wizard will pop up asking for a license file. Click Install.
9. Browse to the location where the license file GT_campus_Mnova_NMR_v1.13.lic was saved and select it. Click Open.
10. Click OK.
11. Click Close on the Registration Wizard window.
12. Restart MestreNova.
13. Install plugins as described in the Plugin Install section
Mac Install
1. Download the MestreNova msi installer and GT_campus_Mnova_NMR_v1.13.lic files from software.oit.gatech.edu. Also download the zip files and license files for the qNMR and Reaction Monitoring (RM) plugins if desired.
2. Open the MestreNova .dmg installer file.
3. Drag the MestReNova Icon to the Applications folder
4. Open MestreNova from Applications
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5. You may get an error message about permissions. Allow MestreNova to correct the permissions.
6. On the Registration Wizard screen, click Install to install the license file that you downloaded with the software.
7. Browse to the location of the GT_campus_Mnova_NMR_v1.13.lic file and select it. Click Open.
8. Click OK.
9. Click Close on the Registration Wizard window.
10. Restart MestreNova
11. Install plugins as described in the Plugin Install section
Plugin Install
1. Download the zip files and license files for the qNMR and Reaction Monitoring (RM) plugins from software.oit.gatech.edu.
2. Open the MestreNova NMR program.
3. Double clicking on the Licenses icon in the lower right hand corner of the MestreNova window to bring up the Registration Wizard.
4. Click the Install button to install the license for the plugin.
5. Browse the the downloaded license file, select it, and click Open
6. Click OK.
7. Drag and drop the plugin .zip file to the main workspace in MestreNova. This will automatically begin the installation process.
8. Click Install
9. Restart MestreNova