Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Molecular Models02:00

Molecular Models

38.2K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
38.2K
Newman Projections02:06

Newman Projections

16.8K
Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...
16.8K
Fischer Projections02:18

Fischer Projections

13.2K
Learning to draw Fischer projections of molecules and understanding their relevance plays a crucial role in the visual depiction of organic molecules. A Fischer projection is a two-dimensional projection on a planar surface to simplify the three-dimensional wedge–dash representation of molecules. This is especially helpful in the case of molecules with multiple chiral centers that can be difficult to draw. Here, all the bonds of interest are represented as horizontal or vertical lines.
13.2K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Large-scale discovery and annotation of substructure patterns in mass spectrometry profiles.

Nature communications·2026
Same author

The MassBank contributions of the mFam collaboration.

Metabolomics : Official journal of the Metabolomic Society·2026
Same author

Characterizing the effect of short wavelengths on the floral flavonoid metabolome of medicinal cannabis using a comparative computational metabolomics workflow.

Metabolomics : Official journal of the Metabolomic Society·2026
Same author

Charting the Biosynthetic Landscape of Hybrid Polyketide-Nonribosomal Peptide-Specialized Lipids.

JACS Au·2026
Same author

COMMBAT: a web platform for exploring expression control of biosynthetic gene clusters.

Nucleic acids research·2026
Same author

PARAS: High-Accuracy Machine Learning of Substrate Specificities in Nonribosomal Peptide Synthetases.

JACS Au·2026

相关实验视频

Updated: Jun 25, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
14:37

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

9.8K

CineMol:一个可编程访问的直接到SVG的3D小分子抽.

David Meijer1, Marnix H Medema2, Justin J J van der Hooft3

  • 1Bioinformatics Group, Wageningen University & Research, Wageningen, the Netherlands. david.meijer@wur.nl.

Journal of cheminformatics
|May 24, 2024
PubMed
概括

CineMol可以快速高效地从3D小分子模型生成2D可扩展矢量图形 (SVG) 可视化. 这种基于Python的工具增强了化学信息学研究,为出版物提供了可访问,可定制的分子图形.

关键词:
分子绘图 分子绘图可扩展的矢量图形可扩展.三维结构的三维结构.视觉化的可视化

更多相关视频

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

1.3K
Electron Cryotomography of Bacterial Cells
14:23

Electron Cryotomography of Bacterial Cells

Published on: May 6, 2010

25.4K

相关实验视频

Last Updated: Jun 25, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
14:37

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

9.8K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps
09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

1.3K
Electron Cryotomography of Bacterial Cells
14:23

Electron Cryotomography of Bacterial Cells

Published on: May 6, 2010

25.4K

科学领域:

  • 化学信息学 化学信息学
  • 计算化学的计算化学
  • 科学可视化科学可视化

背景情况:

  • 在化学信息学中,对小分子的有效可视化对于传递复杂数据和结果至关重要.
  • 可扩展矢量图形 (SVG) 非常适合分子可视化,因为它们具有可扩展性和后期编辑性.
  • 现有的软件往往缺乏来自3D模型的直接SVG输出和编程Python可访问性.

研究的目的:

  • 介绍CineMol,这是一个基于Python的新工具,用于生成3D小分子模型的2D SVG可视化.
  • 解决化学信息学工作流程中对高效,可编程访问的SVG生成的需求.
  • 为研究人员提供一个工具,用于创建可定制和准备发布的分子图形.

主要方法:

  • CineMol可以直接将3D小分子模型的向量近似生成为SVG格式.
  • 该过程避免了诸如三角测量或光线跟踪等计算密集型方法,确保了速度.
  • 该工具是用Python编写的,仅依赖本地库来实现广泛的兼容性.

主要成果:

  • CineMol以小文件大小 (50-300 KB,最多可容纳 45 个重原子) 快速生成 SVG 文件 (数秒).
  • 输出SVG可以在标准矢量图形软件中轻松编辑.
  • 该工具提供了对每原子和每键可视化参数的编程控制.

结论:

  • CineMol提供了一种快速,高效和易于使用的解决方案,用于从3D模型生成2D SVG分子可视化.
  • 它的Python集成和定制功能使其成为化学信息学,代谢学和相关领域的宝贵资产.
  • 在分子研究中,CineMol增强了科学传播的视觉影响和清晰度.