在本文中，我们将介绍适用于Windows 10 PC的最佳免费分子建模软件。^{(Molecular Modeling software)}使用这些免费软件，您可以创建各种简单到复杂化合物的模型。该软件合集对生物信息学、化学工程等专业的学生很有帮助。您可以从元素周期表^{(Periodic Table)}中添加不同的元素来形成化合物。此外，在这些软件中，您还可以查看不同样式的化合物，如线框、球棒、管道、球和圆柱体^{(wireframe, ball and stick, pipes, ball and cylinder)}等。

适用于Windows 10^{(Windows 10)}的分子建模^(Modeling)软件

为方便起见，其中一些软件还包括不同的化学基团和结构。只需^(Simply)选择它们，您的化学模型就准备好了。化学基团的示例包括 醇、苯、醛、氨基酸^{(alcohols, benzene, aldehydes, amino acids)}等。除此之外，您还可以进行 能量、键长^{(energy, bond length)}等化学计算。

1. 阿伏伽德罗
2. MoluCAD
3. 阿格斯实验室
4. 阿斯卡拉夫设计师

让我们来看看它们。

1] 阿伏伽德罗

 Avogadro 是一款出色的分子建模免费软件，具有许多功能。其用户友好的界面使用户易于理解。启动软件时，您将看到黑屏和左侧的面板。您可以从左侧面板的“下拉菜单^{(drop-down menu)}”中访问一些常用元素。如果要访问所有元素，只需单击下拉菜单中的“其他”，软件将启动^(other)元素周期表^{(Periodic Table)}。您从元素周期表^{(Periodic Table)}中选择的元素将出现在下拉列表中。

绘制化合物的步骤：

1. 从左侧面板的下拉菜单中选择^(Select)一个元素，然后单击黑屏添加它。
2. 现在，从下拉菜单中选择另一个元素。
3. 按住鼠标左键并将其拖动到第一个元素以将其与化学键连接。您还可以选择化学键的类型，单键、双键或三键。

软件工具栏上有不同的按钮：

• 绘图工具^{(Draw tool)}：它可以让您绘制不同的分子化合物。
• 导航工具^{(Navigation tool)}：使用它，您可以移动、旋转、放大和缩小分子模型。
• 以键为中心的操作工具^{(Bond centric manipulation tool)}：选择此工具并单击任何键以查看角度。
• 自动旋转工具^{(Auto rotation tool)}：选择该工具并点击“开始^(Start)”按钮。现在，按住鼠标左键并向任意方向拖动。松开左键，分子模型将自动开始旋转。

如果要自动调整化合物的键长，请转到“ Extensions > Optimize Geometry ”或按“ Ctrl+Alt+O ”。要计算能量，请转到“Extensions > Molecular Mechanics > Calculate Energy”。

保存文件^{(Saving the File)}：您可以将项目保存为多种格式，包括 PDB、ENT、CHM、ALC、CDXML、CDX、C3D2、C3D1、SD、SDF、DMOL、CHT、GAM。除此之外，还提供导出选项，您可以使用它以 PDF、SVG、BMP、JPG、PNG等格式保存您的项目。

2]MoluCAD

MoluCAD 是此列表中另一个免费的分子建模免费软件。像Avogadro一样，它也有很多特性。在此软件中，您可以相邻查看 2D 和 3D 视图。软件的左侧面板上提供了一些常用元素。要将其添加到主空间，只需单击任何元素。如果您要添加的元素在那里不可用，您可以从元素周期表^{(Periodic Table)}中选择它。要查看元素周期表^{(Periodic Table)}，请右键单击黑色空间，然后单击“添加原子^{(Add Atom)}”按钮。

绘制化合物的步骤：

1. 单击^(Click)左侧面板上的任何元素以添加它。
2. 单击^(Click)另一个元素以添加它，或者您可以从元素周期表^{(Periodic Table)}中选择它。
3. 要连接元素，请转到“ Add > Bonds – Connect Atoms ”并选择化学键的类型。现在单击第一个原子，然后单击第二个原子。

除了元素，您还可以添加化合物。在右侧面板上，您会发现不同的 分子、氨基酸、官能团、孤对原子^{(molecules, amino acids, functional groups, lone pair atoms)}等。选择任何结构并将其拖放到主空间。您可以通过单击“Energy > Evaluate Energy”来计算分子的能量。

使用“查询^(Query)”菜单，您可以计算 两个原子之间的距离、键长、键角、扭转角、质心^{(distance between two atoms, bond length, bond angle, torsion angle, the centre of mass)}等。您可以在四个不同的视图中查看 3D 结构， 顶部、正面、侧面和斜^{(top, front, side, and oblique)}。转到“View > Graphics Mode”以不同形式查看模型，如 球棒、空间填充、管道^{(ball & stick, space fill, pipes)}等。

保存文件^{(Saving the file)}：您可以将项目保存为MCD格式。如果您使用“文件”菜单中的“^(File)导出^(Export)”选项，您可以将项目保存为 JPEG 和 Windows BITMAP 格式。

3] 阿格斯实验室

ArgusLab 是另一个用户友好的分子建模软件，具有易于理解的功能。使用此软件，您可以创建不同化合物的结构。在软件的左侧面板上，三个选项卡可用：

• 原子^(Atoms)：此选项卡包含元素周期表^{(Periodic Table)}的不同元素。单击每个原子后，软件会显示其几何形状。单击^(Click)“元素周期表^{(Periodic Table)}”按钮以启动元素周期表^{(Periodic Table)}。
• 环^(Rings)：在这里，您将获得不同类型的化学环结构。
• 氨基酸^{(Amino Acids)}：此选项卡显示不同类型的氨基酸。在此选项卡中，“多肽生成器^{(Polypeptide Builder)}”也可用。

画化合物的步骤：

1. 单击左侧面板上的“ Atom ”选项卡以添加元素。^(Atom)
2. 选择^(Select)任何可用元素。如果您想要的元素不存在，您可以从“元素周期表^{(Periodic Table)}”中选择相同的元素。
3. 使用^(Use)右键单击将元素放置在提供的空间上。
4. 选择^(Select)另一个元素。现在，使用左键单击选择最后一个元素并使用右键单击放置另一个元素。这将连接两个元素并形成一个化合物。
5. 要在空间中添加环和氨基酸，请按照相同的步骤操作。

4]阿斯卡拉夫设计师

Ascalaph Designer 是一款更出色的分子建模免费软件。该软件最好的部分是您无需将其安装在您的 PC 上。它带有一个可执行文件。该软件将以 zip 格式下载。解压后，你会在“ bin ”文件夹中找到可执行文件。

绘制化合物的步骤：

1. 按“ Ctrl+N ”开始一个新项目。
2. 要添加元素，您必须打开元素周期表^{(Periodic Table)}。为此，请转到“Build > Free Drawing”。
3. 选择^(Select)任何元素并通过按“ Ctrl+Shift ”键将它们放置在空间中。
4. 使用上述步骤放置另一个元素并将其拖动到最后一个元素以将它们与化学键连接。

通过单击右侧面板上的按钮，您可以查看不同形式的每种化合物，例如 球和棒、线框、CPK等。^{(ball and stick, wireframe, CPK)}当您从元素周期表^{(Periodic Table)}中选择任何元素时，它会显示其他信息，例如 元素名称、杂化、共价和范德华引力^{(element name, hybridization, covalent, and Van Der Waals forces of attraction)}。点击“分析^(Analyze)”菜单进行不同的计算，包括 能量、温度、压力、偶极矩^{(energy, temperature, pressure, dipole moment)}等。

保存文件^{(Saving the file)}：您只能以自己的格式保存您的项目，包括 mim、hin、xmol、  mmol、 ^{(mmol, smol, )} smol等。这是这个免费软件的缺点。

我们希望您发现这篇文章对您的学校和大学项目有用。

Best free Molecular Modeling software for Windows 10

In this article, we will cover the best free Molecular Modeling software for Windows 10 PC. Using these freeware, you can create models of various simple to complex chemical compounds. This software collection is helpful for the students of bioinformatics, chemical engineering, etc. You can add different elements from the Periodic Table to form a chemical compound. Moreover, in these software, you can also view a chemical compound in different styles, like wireframe, ball and stick, pipes, ball and cylinder, and more.

Molecular Modeling software for Windows 10

Some of these software also include different chemical groups and structures for your convenience. Simply select them, and your chemical model is ready. Examples of chemical groups include alcohols, benzene, aldehydes, amino acids, etc. Apart from that, you can also do chemical calculations like energy, bond length, etc.

1. Avogadro
2. MoluCAD
3. ArgusLab
4. Ascalaph Designer

Let us take a look at them.

1] Avogadro

 Avogadro is an excellent molecular modeling freeware that comes with plenty of features. Its user-friendly interface makes it easy to understand for the users. On launching the software, you will see a black screen and a panel on the left side. You can access some commonly used elements from the “drop-down menu” on the left panel. If you want to access all the elements, simply click on “other” in the drop-down menu, and the software will launch the Periodic Table. The element which you select from the Periodic Table will be available in the drop-down list.

Steps to draw a chemical compound:

1. Select an element from the drop-down menu on the left panel and click on the black screen to add it.
2. Now, select another element from the drop-down menu.
3. Press and hold the left click of the mouse and drag it to the first element to connect it with a chemical bond. You can also select the type of chemical bond, single, double, or triple.

There are different buttons on the toolbar of the software:

• Draw tool: It lets you draw different molecular compounds.
• Navigation tool: Using it, you can move, rotate, zoom in and zoom out the molecular model.
• Bond centric manipulation tool: Select this tool and click on any of the bonds to view the angle.
• Auto rotation tool: Select this tool and click on the “Start” button. Now, press and hold the left click of the mouse and drag it in any direction. Release the left click, and the molecular model will start rotating automatically.

If you want to resize the bond length of compounds automatically, go to “Extensions > Optimize Geometry” or press “Ctrl+Alt+O.” To calculate the energy, go to “Extensions > Molecular Mechanics > Calculate Energy.”

Saving the File: You can save your project in multiple formats, including PDB, ENT, CHM, ALC, CDXML, CDX, C3D2, C3D1, SD, SDF, DMOL, CHT, GAM. Apart from this, an export option is also available, using which you can save your project in PDF, SVG, BMP, JPG, PNG, etc.

2] MoluCAD

MoluCAD is another free molecular modeling freeware in this list. Like Avogadro, it also comes with a lot of features. In this software, you can view both 2D and 3D views adjacently. Some commonly used elements are available on the left panel of the software. To add it to the main space, simply click on any of the elements. If the element you want to add is not available there, you can select it from the Periodic Table. To view the Periodic Table, right-click on the black space and click on the “Add Atom” button.

Steps to draw a chemical compound:

1. Click on any of the elements on the left panel to add it.
2. Click on another element to add it, or you can select it from the Periodic Table.
3. To connect the elements, go to “Add > Bonds – Connect Atoms” and select the type of chemical bond. Now click on the first atom and then click on the second one.

Apart from elements, you can also add compounds. On the right panel, you will find different molecules, amino acids, functional groups, lone pair atoms, etc. Select any structure and drag and drop it to the main space. You can calculate the energy of the molecules by clicking on “Energy > Evaluate Energy.”

Using the “Query” menu, you can calculate the distance between two atoms, bond length, bond angle, torsion angle, the centre of mass, etc. You can view the 3D structure in four different views, top, front, side, and oblique. Go to “View > Graphics Mode” to view the model in different forms, like ball & stick, space fill, pipes, and more.

Saving the file: You can save the project in MCD format. If you use the “Export” option in the “File” menu, you can save your project in JPEG and Windows BITMAP formats.

3] ArgusLab

ArgusLab is another user-friendly molecular modeling software that comes with easy to understand features. Using this software, you can create the structure of different chemical compounds. On the left panel of the software, three tabs are available:

• Atoms: This tab contains different elements of the Periodic Table. On clicking each atom, the software displays its geometry. Click on the “Periodic Table” button to launch the Periodic Table.
• Rings: Here, you will get different types of chemical ring structures.
• Amino Acids: This tab shows different types of amino acids. In this tab, “Polypeptide Builder” is also available.

Steps to draw chemical compound:

1. Click on the “Atom” tab on the left panel to add an element.
2. Select any of the available elements. If your desired element is not there, you can select the same from the “Periodic Table.”
3. Use right-click to place the element on the space provided.
4. Select another element. Now, select the last element using the left-click and place the other element by using the right-click. This will join the two elements and form a compound.
5. To add rings and amino acids in the space, follow the same steps.

4] Ascalaph Designer

Ascalaph Designer is one more good molecular modeling freeware. The best part of the software is that you need not install it on your PC. It comes with an executable file. The software will be downloaded in zip format. After extracting it, you will find the executable file in the “bin” folder.

Steps to draw a chemical compound:

1. Press “Ctrl+N” to start a new project.
2. To add elements, you have to open the Periodic Table. For this, go to “Build > Free Drawing.”
3. Select any of the elements and place them in the space by pressing the “Ctrl+Shift” keys.
4. Place another element using the above step and drag it to the last element to connect them with a chemical bond.

You can view every compound in different forms like ball and stick, wireframe, CPK, etc., by clicking on the buttons on the right panel. When you select any element from the Periodic Table, it shows you additional information like element name, hybridization, covalent, and Van Der Waals forces of attraction. Click on the “Analyze” menu to perform different calculations, including energy, temperature, pressure, dipole moment, etc.

Saving the file: You can save your project only in its own formats, including mim, hin, xmol, mmol, smol, etc. This is the demerit of this freeware.

We hope you found this post useful for your school and college projects.

Related posts

• Windows 10 Best免费Barcode Scanner software

• Windows 10 Best Free Circuit Simulation software

• Windows 10 Best Free Remote Desktop Software

• Windows 10 Best免费Drone Mapping software

• Best IP Camera apps为Windows 10 PC and Android Phone

• LONG Path Fixer tool将在Windows 10修复Path Too长误差

• Windows 10 Best Free Artificial Intelligence software

• Windows 10 Windows Search Alternative Tools

• Windows 10 Win Update Stop：禁用Windows Updates4

• Best免费Window Manager software为Windows 10

• Watch数字电视，并在Windows 10上收听Radio，ProgDVB

• Best免费Connectify alternative软件在Windows 10中共享Internet

• Block使用AskAdmin以Windows 10运行的程序

• Geek Uninstaller - 用于Windows 10的便携式All-in-One Uninstaller

• Best Free ISO Burners为Windows 10

• Tomboy，Windows 10简单但功能丰富，Notepad alternative

• 如何将已安装的程序移动到Windows 10中的另一个驱动器

• Windows 10 Best Free Audiobook Player

• Reduce分心在Windows 10; Blackout部分computer screen的！

• Start Everywhere是Windows 10一个Start Menu alternative