अणु संपादक: Difference between revisions

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{| class="wikitable sortable"
{| class="wikitable sortable"
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! Program !! Developer(s) !! License !! Platforms !! Info
! प्रोग्राम !! विकासक(एस) !! लाइसेंस !! प्लेटफार्म !! इन्फो
|-
|-
| [[ACD/ChemSketch]] || [[Advanced_Chemistry_Development|ACD/Labs]] || {{proprietary}} || Windows || A chemically intelligent drawing interface that allows drawing almost any chemical structure including organics, organometallics, polymers, and Markush structures. [[freeware]] version available
| [[ACD/ChemSketch|एसीडी/केमस्केच]] || [[Advanced_Chemistry_Development|ACD/Labs]] || {{proprietary}} || Windows || A chemically intelligent drawing interface that allows drawing almost any chemical structure including organics, organometallics, polymers, and Markush structures. [[freeware]] version available
|-
|-
| [[Amira (software)]] || [[Visage Imaging]]<br>[[Zuse Institute Berlin]] || {{proprietary}} || Windows, [[macOS]], [[Linux]] || 14-day trial version available
| [[Amira (software)|अमीरा (सॉफ्टवेयर)]] || [[Visage Imaging]]<br>[[Zuse Institute Berlin]] || {{proprietary}} || Windows, [[macOS]], [[Linux]] || 14-day trial version available
|-
|-
| [[Ascalaph Designer]] || [[Agile Molecule]] || {{GPL-lic}} || Linux, Windows || freeware
| [[Ascalaph Designer|एस्कलाफ डिजाइनर]] || [[Agile Molecule]] || {{GPL-lic}} || Linux, Windows || freeware
|-
|-
| [[Avogadro (software)|Avogadro]] || Avogadro project team || {{GPL-lic}} ||  Linux, macOS, Windows || 3D molecule editor, visualizer
| [[Avogadro (software)|एवोगेड्रो]] || Avogadro project team || {{GPL-lic}} ||  Linux, macOS, Windows || 3D molecule editor, visualizer
|-
|-
| [[BALLView]] || BALL project team || {{GPL-lic}}-[[GNU Lesser General Public License|LGPL]] || Linux, macOS, Windows || viewer, editor, simulation tool
| [[BALLView|बॉलव्यू]] || BALL project team || {{GPL-lic}}-[[GNU Lesser General Public License|LGPL]] || Linux, macOS, Windows || viewer, editor, simulation tool
|-
|-
| [[Bioclipse]] || Bioclipse Developers || {{free|[[Eclipse Public License|EPL]]}} || [[cross-platform]] || [[Java (programming language)|Java]], Eclipse [[Rich Client Platform]] (RCP) based
| [[Bioclipse|बायोक्लिप]] || Bioclipse Developers || {{free|[[Eclipse Public License|EPL]]}} || [[cross-platform]] || [[Java (programming language)|Java]], Eclipse [[Rich Client Platform]] (RCP) based
|-
|-
|ChemDoodle
|केमडूडल
|iChemLabs|| {{proprietary}}  
|iChemLabs|| {{proprietary}}  
|cross-platform
|cross-platform
|Java
|Java
|-
|-
| [[ChemDraw]] || PerkinElmer || {{proprietary}} || macOS, Windows || Edit chemical structures and reactions
| [[ChemDraw|केमड्रा]] || PerkinElmer || {{proprietary}} || macOS, Windows || Edit chemical structures and reactions
|-
|-
| [[Deneb]]|| AtelGraphics || {{proprietary}} || Linux, Windows || Trial version available; easy to use graphical user interface desktop for packages SIESTA, VASP, QE, etc.
| [[Deneb|डेनेब]]|| AtelGraphics || {{proprietary}} || Linux, Windows || Trial version available; easy to use graphical user interface desktop for packages SIESTA, VASP, QE, etc.
|-
|-
| [[ChemWindow]]|| [[Wiley (publisher)|Wiley]] || {{proprietary}} || Windows || available as part of the KnowItAll software environment; Freeware for academic research and teaching
| [[ChemWindow|केमविंडो]]|| [[Wiley (publisher)|Wiley]] || {{proprietary}} || Windows || available as part of the KnowItAll software environment; Freeware for academic research and teaching
|-
|-
| [[Gabedit]] || Abdulrahman Allouche || {{BSD-lic}} ||  Linux, macOS, Windows || 3D molecule editor, visualizer
| [[Gabedit|गैबडिट]] || Abdulrahman Allouche || {{BSD-lic}} ||  Linux, macOS, Windows || 3D molecule editor, visualizer
|-
|-
| [[JChemPaint]] ||  || {{LGPL-lic}} || [[cross-platform]] || 2D structural formula editor written in [[Java (programming language)|Java]]
| [[JChemPaint|जेकेमपेंट]] ||  || {{LGPL-lic}} || [[cross-platform]] || 2D structural formula editor written in [[Java (programming language)|Java]]
|-
|-
| [[Molecular Operating Environment|Molecular Operating Environment (MOE)]] || [[Chemical Computing Group]] || {{proprietary}} || Windows, Linux, Mac; SVL programming language || Platform for molecular modelling / drug discovery applications, with 3D molecular sketching and editing, 2D depiction, and 2D to 3D conversion.
| [[Molecular Operating Environment|आणविक परिचालन पर्यावरण (एमओई)]] || [[Chemical Computing Group]] || {{proprietary}} || Windows, Linux, Mac; SVL programming language || Platform for molecular modelling / drug discovery applications, with 3D molecular sketching and editing, 2D depiction, and 2D to 3D conversion.
|-
|-
| [[SAMSON]] || Inria || {{proprietary}} || Windows, Linux, macOS  || Software platform for integrated computational nanoscience. Customized with SAMSON Elements (modules for SAMSON) ||
| [[SAMSON|सैमसन]] || Inria || {{proprietary}} || Windows, Linux, macOS  || Software platform for integrated computational nanoscience. Customized with SAMSON Elements (modules for SAMSON) ||
|-
|-
| [[Spartan (chemistry software)|Spartan]] || [[Wavefunction, Inc.]] || {{proprietary}} || Linux, macOS, Windows ||
| [[Spartan (chemistry software)|स्पार्टन]] || [[Wavefunction, Inc.]] || {{proprietary}} || Linux, macOS, Windows ||
|-
|-
| [[XDrawChem]] ||  || {{GPL-lic}} || Linux, macOS, Windows || based on [[OpenBabel]]
| [[XDrawChem|एक्सड्राकेम]] ||  || {{GPL-lic}} || Linux, macOS, Windows || based on [[OpenBabel]]
|-
|-
|}
|}

Revision as of 07:23, 15 April 2023

अणु संपादक रासायनिक संरचनाओं के प्रतिनिधित्व को बनाने और संशोधित करने के लिए एक कंप्यूटर प्रोग्राम है।

अणु संपादक क्रमशः 2डी कंप्यूटर ग्राफिक्स या 3डी कंप्यूटर ग्राफिक्स के माध्यम से एक सिम्युलेटेड द्वि-आयामी अंतरिक्ष या त्रि-आयामी स्पेस में रासायनिक संरचना प्रतिनिधित्व में हेरफेर कर सकते हैं। द्वि-आयामी आउटपुट का उपयोग चित्रण के रूप में या रासायनिक डेटाबेस को क्वेरी करने के लिए किया जाता है। आणविक मॉडलिंग सॉफ़्टवेयर पैकेज के भाग के रूप में सामान्यतः आणविक मॉडल बनाने के लिए त्रि-आयामी आउटपुट का उपयोग किया जाता है।

डेटाबेस आणविक संपादक जैसे लेदरफेस,[1] रिकैप,[2] और अणु स्लाइसर[3] बड़ी संख्या में अणुओं को 'डिप्रोटोनेट कार्बोक्जिलिक एसिड' या 'ब्रेक एक्सोसाइक्लिक बॉन्ड' जैसे नियमों के अनुसार स्वचालित रूप से संशोधित करने की अनुमति देता है जिसे उपयोगकर्ता द्वारा निर्दिष्ट किया जा सकता है।

अणु संपादक सामान्यतः कम से कम एक फ़ाइल प्रारूप या रेखा अंकन पढ़ने और लिखने का समर्थन करते हैं। प्रत्येक के उदाहरणों में क्रमशः मोलफाइल और सरलीकृत आणविक इनपुट लाइन प्रविष्टि विनिर्देश (एसएमआईएलईएस) सम्मिलित हैं।

अणु संपादकों द्वारा उत्पन्न फ़ाइलें आणविक ग्राफिक्स उपकरण द्वारा प्रदर्शित की जा सकती हैं।

स्टैंडअलोन प्रोग्राम

प्रोग्राम विकासक(एस) लाइसेंस प्लेटफार्म इन्फो
एसीडी/केमस्केच ACD/Labs Proprietary Windows A chemically intelligent drawing interface that allows drawing almost any chemical structure including organics, organometallics, polymers, and Markush structures. freeware version available
अमीरा (सॉफ्टवेयर) Visage Imaging
Zuse Institute Berlin		 Proprietary Windows, macOS, Linux 14-day trial version available
एस्कलाफ डिजाइनर Agile Molecule GNU GPL Linux, Windows freeware
एवोगेड्रो Avogadro project team GNU GPL Linux, macOS, Windows 3D molecule editor, visualizer
बॉलव्यू BALL project team GNU GPL-LGPL Linux, macOS, Windows viewer, editor, simulation tool
बायोक्लिप Bioclipse Developers EPL cross-platform Java, Eclipse Rich Client Platform (RCP) based
केमडूडल iChemLabs Proprietary cross-platform Java
केमड्रा PerkinElmer Proprietary macOS, Windows Edit chemical structures and reactions
डेनेब AtelGraphics Proprietary Linux, Windows Trial version available; easy to use graphical user interface desktop for packages SIESTA, VASP, QE, etc.
केमविंडो Wiley Proprietary Windows available as part of the KnowItAll software environment; Freeware for academic research and teaching
गैबडिट Abdulrahman Allouche BSD Linux, macOS, Windows 3D molecule editor, visualizer
जेकेमपेंट GNU LGPL cross-platform 2D structural formula editor written in Java
आणविक परिचालन पर्यावरण (एमओई) Chemical Computing Group Proprietary Windows, Linux, Mac; SVL programming language Platform for molecular modelling / drug discovery applications, with 3D molecular sketching and editing, 2D depiction, and 2D to 3D conversion.
सैमसन Inria Proprietary Windows, Linux, macOS Software platform for integrated computational nanoscience. Customized with SAMSON Elements (modules for SAMSON)
स्पार्टन Wavefunction, Inc. Proprietary Linux, macOS, Windows
एक्सड्राकेम GNU GPL Linux, macOS, Windows based on OpenBabel


जावा एप्लेट्स

Applet Developer(s) License Info
JChemPaint GNU LGPL Editor and viewer applets
JME Molecule Editor Peter Ertl Proprietary freeware available from Molinspiration; Freeware for noncommercial use


जावास्क्रिप्ट एम्बेड करने योग्य संपादक

Program Developer Desktop Browser IE6-7-8 Desktop Browser other iPad iPhone Android Windows Phone
Kekulé Program Kekule.js Lab Yes Yes Un­known Un­known Un­known Un­known Published under the MIT License


यह भी देखें

नोट्स और संदर्भ

  1. ↑ Kenny, Peter W.; Sadowski, Jens (2005). "Structure Modification in Chemical Databases". ड्रग डिस्कवरी में केमोइन्फॉर्मेटिक्स. Methods and Principles in Medicinal Chemistry. pp. 271–285. doi:10.1002/3527603743.ch11. ISBN 9783527307531.
  2. ↑ Lewell, Xiao Qing; Judd, Duncan B.; Watson, Stephen P.; Hann, Michael M. (1998). "RECAP-Retrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry". Journal of Chemical Information and Computer Sciences. 38 (3): 511–522. doi:10.1021/ci970429i. PMID 9611787.
  3. ↑ Vieth, Michal; Siegel, Miles G.; Higgs, Richard E.; Watson, Ian A.; Robertson, Daniel H.; Savin, Kenneth A.; Durst, Gregory L.; Hipskind, Philip A. (2004). "विशेषता भौतिक गुण और विपणित मौखिक दवाओं के संरचनात्मक टुकड़े". Journal of Medicinal Chemistry. 47 (1): 224–232. doi:10.1021/jm030267j. PMID 14695836.

बाहरी संबंध

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