Search Results for "convert sdf to pdb"
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Showing 14 open source projects for "convert sdf to pdb"
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1
Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other... -
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research. - Developed with Synchronized functioning of Python and Batch scripts - Compatible on Windows - Accepted on Journal of Computational Chemistry - DOI: 10.1002/jcc.27390 -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us - kabeermuzammil614@gmail.com... -
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silico
Libraries and scripts for molecular modelling written in Perl
A perl molecular toolkit designed to assist in general molecular modelling activities. Silico provides file format conversion, molecular manipulation and analysis and a simple way to write wrapper scripts around other preexisting software packages. -
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SDF Toolkit #1
Tools to manipulate SDF files
Toolkit #1 1. Duplicate removal & 2. Convert to Rows 1. Duplicate removal a. Drag in an SDF file. b. Choose one of the tags. c. Remove all the entries that have the same value in that tag (just leaving one). 2. Convert to Rows a. Drag in an SDF file. b. Choose as many of the tags as you want to convert to rows. c. Make a tab delimited file where each of the entries is transposed into a column. The output does not contain the structure information. -
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vcproj2cmake
Visual Studio .vc[x]proj to CMakeLists.txt (make, Ninja ...) enabler
Elaborate Visual Studio .vcxproj / .vcproj projects to CMakeLists.txt converter, enabling Makefile or Ninja or IDE builds, i.e. full multi-platform CMake functionality (Linux, Mac, Windows...). Live Update capability: supports side-by-side tracking of evolving original proj files, within build tree!! Script hooks for static CMake defs, powerful definition-to-variable mapping. Access to project data content is via git repository _only_ (it's a developer infrastructure project, thus... -
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Cartes
For all kinds of geometry transformations of molecules and crystals
功能： A. 晶体坐标变换 -分数坐标和直角坐标互转 -向ａ,ｂ,ｃ三个方向堆积i,j,k个晶胞 -按给定对称关系得出所有相关原子 -按空间群对称性由不等价原子推出晶胞内所有原子 -查看空间群信息及对称等价位置 -自动转换*.cif文件 B. 分子坐标变换 -按指定对称操作任意平移、旋转、反映或反演当前的坐标 - 将一组坐标的中心平移到原点 -自动点群识别 -自动调整分子取向，包括 1)自动将分子的主轴调整到x,y,z轴上 2)自动将分子的自定义的某个轴调整到自定义的另外一个轴上 C. 各种文件格式的转换 注：Windows Vista使用注意：将cartes.exe的兼容模式改成Windows XP，并从用“管理员运行模式” -
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ConvertMAS
ConvertMAS converts Chemical File Formats mol, mol2 and sdf.
ConvertMAS - molecule converter; use to convert Chemical File Formats. It works on mol, mol2 and sdf files. It converts single file to respective formats. It will split sdf file with multiple molecules into seperate single files of any desired format. Also ConvertMAS creates sdf files from joining of mol, mol2 and sdf files. This is stand alone application; hence no need of internet connectivity to get results. It will generate output files in less time. Various online tools are available... -
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An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges
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9
GE2Suunto2GE
Convert your Google Earth track file to Suunto format and vice versa.
This software is intended to convert Suunto track/route (.sdf) format files into Google Earth's KMZ/KML files, so you can view your route/track in Google Earth. With this application you can also convert KMZ/KML files into Suunto track/route files. For example: If you draw a route in Google Earth, you can export it to KMZ/KML, then you can use this software to convert it into Suunto format, so you can upload it to your Suunto product... and you will never get lost again :) -
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10
Don't miss you train ! Put your train schedules on your palm. The PalmOS program allows for easy displaying of train schedules. The converter allows to convert on your PC the schedules from a CSV format to the PDB file format used on Palm handhelds.
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A tool to convert mol or sdf files to SVG - scalable vector graphics. Sdf and mol files are files containing information about chemicals. The tool is written in PHP.
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DOC2IGC
Convert Soaring Pilot DOC flight log to IGC format
This tool can be used to convert Soaring Pilot generated flight logs in Palm DOC format to IGC logger file(s) for use with flight analysis software like SeeYou and SoaringDotNet or to upload your flight to the OLC server. -
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dbapipe will convert calendar entries between flat text files and datebook.dat or .dba files for Palm Desktop.
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A MIDI-file player for the Palm. Convert .mid-files to .pdb-files on your PC and download to your Palm. Useful for learning new songs on the go. (Ideas and help are welcome.)
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