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Build a Molecule 1.0.22

... its drag-and-drop interface, which enables users to assemble molecules from a variety of atoms. This hands-on approach ... is its real-time feedback mechanism. As users construct molecules, the software provides immediate visual and textual feedback, ... software's ability to simulate both simple and complex molecules. Users can start with basic molecules like water ...

Gromacs for Mac OS X and Linux 4.6.5

... particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. ...

Gabedit for Linux 2.5.1

... advanced "Molecule Builder" allows to rapidly sketch in molecules and examine them in 3D. Graphics can be exported to various formats, including animations. Major features: Gabedit can Creates input file for GAMESS(US), GAUSSIAN, MOLCAS, MOLPRO , MPQC, OpenMopac, Orca, PCGamess and Q-Chem. Gabedit can graphically display a variety ...

Gabedit 2.5.1

... advanced "Molecule Builder" allows to rapidly sketch in molecules and examine them in 3D. Graphics can be exported to various formats, including animations. Major features: Gabedit can Creates input file for GAMESS(US), GAUSSIAN, MOLCAS, MOLPRO , MPQC, OpenMopac, Orca, PCGamess and Q-Chem. Gabedit can graphically display a variety ...

MarvinSketch 23.16.0

MarvinSketch allows users to quickly draw molecules through basic functions on the GUI and advanced functionalities such as sprout drawing, customizable shortcuts, abbreviated groups, default and user-defined templates and context-sensitive popup menus. The software contains a rich feature set that includes many editing tools as well as support for bond ...

Microwaves 1.05

... of the microwaves. You can also watch water molecules rotate and bounce around. Furthermore, you can view the microwave field as a wave, a single line of vectors, or the entire field. ...

TARQUIN 4.3.6

... analysis tool for automatically determining the quantities of molecules present in NMR spectroscopic data. The intended purpose of TARQUIN is to aid the characterisation of pathologies, in particular brain tumours, both non-invasively with in-vivo 1H MRS and ex-vivo with 1H HR-MAS. TARQUIN has the following features: Free to use ...

TARQUIN for Linux 4.3.6

... analysis tool for automatically determining the quantities of molecules present in NMR spectroscopic data. The intended purpose of TARQUIN is to aid the characterisation of pathologies, in particular brain tumours, both non-invasively with in-vivo 1H MRS and ex-vivo with 1H HR-MAS. TARQUIN has the following features: Free to use ...

RasMol 2.7.5

... is an important scientific tool for visualisation of molecules created by Roger Sayle in 1992. RasMol is ... the visualisation of proteins, nucleic acids and small molecules. The program is aimed at display, teaching and generation of publication quality images. RasMol runs on wide range of architectures and operating systems including ...
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LigandScout 3.12

... linked to 3D interface · Fast alignment of molecules in their bio-active conformation to other molecules and 3D pharmacophores from several ligands and/or pharmacophores, ... action · Advanced handling of co-factors, ions, water molecules and covalently bound ligands · Pharmacophore export to ... site · Ability to treat co-factors and water molecules as part of the ligand or part of ...
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LigandScout for Mac OS X 3.12

... linked to 3D interface · Fast alignment of molecules in their bio-active conformation to other molecules and 3D pharmacophores from several ligands and/or pharmacophores, ... action · Advanced handling of co-factors, ions, water molecules and covalently bound ligands · Pharmacophore export to ... site · Ability to treat co-factors and water molecules as part of the ligand or part of ...
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LigandScout for Linux 3.12

... linked to 3D interface · Fast alignment of molecules in their bio-active conformation to other molecules and 3D pharmacophores from several ligands and/or pharmacophores, ... action · Advanced handling of co-factors, ions, water molecules and covalently bound ligands · Pharmacophore export to ... site · Ability to treat co-factors and water molecules as part of the ligand or part of ...
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MOPlot 1.93

... according to the geometry definition in the calculation. Molecules can be turned in all directions under mouse ... displacement vectors and in animated form. For complex molecules where the calculation of the displacements may become slow, a "loop" mode is available to speed up the animation. · The gradient difference and ...
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miRPI 1.0

... identified mostly by specific cloning of small RNA molecules, complemented by computational methods. Computational identification of miRNA is faster and generally follows AB initio and sequence alignment methods. Here we developed MIRPI, a new software that finds highly conserved miRNAs from the given gene sequences by using non-repeated ...
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jAGN 1.02

... the cells can be viewed as networks of molecules connected by chemical reactions. The development of massive data collection techniques, as cDNA microarrays and SAGE, allows the simultaneous verification of cell's components estate in multiples instances of time. Computational methods have been extensively used to analyze and to ...
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SketchEl 1.60

... order to make this as convenient as possible. Molecules can be easily interconverted with the ubiquitous MDL ... boolean) or a molecule. Editing and viewing of molecules is linked to the molecule sketching tool. The ... output, using anti-aliased rendering and arbitrary size scaling. Molecules can be exported as SVG (Scalable Vector Graphics) ...

MacVector for Mac OS X 18.6.34

... easily replicate laboratory cloning experiments to create new molecules. MacVector uses the native Mac OS X Quartz ... biological manipulations at the bench to create new molecules with the correct sequences across the cloning and recombination junctions. Auto Annotation You can scan an unannotated or partially annotated sequence against a ...

Marvin Suite 25.1.58

... templates and symbols facilitate the rapid construction of molecules, reactions, and mechanisms. The software supports a wide ... arrangement of atoms and the overall geometry of molecules, which is crucial for understanding their reactivity and interactions. The 3D visualization capabilities are enhanced by advanced rendering options, allowing users to explore molecular ...

Chemistry Development Kit 1.5.6 Dev

... editor NMRShiftDB and JChemPaint, a database of organic molecules and their NMR spectra are based on the Chemistry Development Kit (CDK). ...

sRNA Workbench 4.5.1

... tunes gene expression. RNA silencing is mediated by molecules known as small RNAs (sRNAs). Well-known examples of sRNAs include short-interfering RNA (siRNA), microRNAs (miRNAs), trans-acting short-interfering RNA (tasi-RNA) and Piwi-interacting RNA (piRNA). It was originally studied as a defence mechanism against pathogens in plants and later studied extensively due to ...

Avogadro 1.2.0

... by using the mouse buttons and dragging the molecules on their three axis. Probably the best aspect of this program for those with some coding knowledge is that it can be easily extended and developed via plugins. Avogadro is based on Open Babel according to the developers and in future, ...

JChem Suite 25.3.6

... conventions, making it versatile enough to handle complex molecules and reactions with ease. JChem Suite also excels in its ability to perform sophisticated chemical calculations and predictions. The suite includes tools for predicting physicochemical properties, such as pKa, logP, and solubility, as well as more advanced calculations like conformer ...

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