Showing 52 open source projects for "file::rsyncp"

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  • 1
    PyRx - Virtual Screening Tool

    PyRx - Virtual Screening Tool

    Virtual Screening software for Computational Drug Discovery

    PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes...
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    Downloads: 1,794 This Week
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  • 2
    MzDOCK - Multiple Ligand Docking Tool

    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...
    Downloads: 81 This Week
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  • 3
    mzMatch is a Java collection of small commandline tools specific for metabolomics MS data analysis. The tools are built on top of the PeakML core library, providing mass spectrometry specific functionality and access to the PeakML file format.
    Downloads: 9 This Week
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  • 4
    Eleana

    Eleana

    Program for the analysis of spectroscopic data, in particular EPR(ESR)

    Eleana is a program for manipulating, modifying and analyzing various spectroscopic data, in particular electron paramagnetic resonance spectra. It allows you to import data from Bruker spectrometers such as Elexsys or EMX and data from any ASCII file or imported from the clipboard. The program is under constant development, but already has many functions implemented for spectral analysis. Some of the basic functions include: baseline corrections, filtering, spectral clipping, integration...
    Downloads: 7 This Week
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  • 5
    Amplicon_Sequencing_Worfklow

    Amplicon_Sequencing_Worfklow

    Analyzing amplicon data from sequences to stats

    ... instructions provided in case you are running these analyses via a computing cluster/Slurm workload manager. You can choose to go through the workflow using either an Rmd script, an html file, or a PDF, or via the homepage link provided. If you have questions or concerns, please don't hesitate to reach out. Thanks!
    Downloads: 0 This Week
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  • 6
    OligoYap Portable

    OligoYap Portable

    Oligo design and bioinformatic analysis software.

    ...-click the exe file and check the features/compatibility "Disable screen scaling in high DPI settings" box. On some systems (as win8.1) you may also need to check the "run as administrator" option. You can download the Turkish version (OligoYap_tur_portable.exe) from the Project Activity or by clicking on the Files menu. You can download the user manual video (OligoYap_eng_video.avi) from the Project Activity (click See All Activity) or by clicking on the Files menu.
    Downloads: 0 This Week
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  • 7
    KimBlast

    KimBlast

    Blast+ the easy way

    KimBlast GUI formats and indexes Fasta databases for Blast, performs Blast searches and analyzes results. Python 3.x version. For more information, you can have a look at the README.md file in the source code tree: https://sourceforge.net/p/lp-csic-uab/kimblast3/code/ci/default/tree/README.md
    Downloads: 0 This Week
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  • 8
    TVscript

    TVscript

    Exploration of the removal of count variable transcripts.

    > See TVscript wiki: https://sourceforge.net/p/tvscript/wiki/Home/ Related Software: 1. CStone: https://sourceforge.net/projects/cstone/ 2. CSReadGen: https://sourceforge.net/projects/csreadgen/ 3. CView: https://sourceforge.net/projects/cview/ 4. ChimSim: https://sourceforge.net/projects/chimsim/ 5. TVScript: (See wiki)
    Downloads: 0 This Week
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  • 9

    Molecular Dynamics Studio

    Molecular Dynamics Cell Construction

    ... the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications. http://www.nanoengineer-1.net http://www.ime.unicamp.br/~martinez/packmol/ http://lammps.sandia.gov/
    Downloads: 17 This Week
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  • 10
    chemfiles

    chemfiles

    Modern library for chemistry file reading and writing

    Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with...
    Downloads: 0 This Week
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  • 11

    ISVASE

    identification of sequence variant associated with splicing event

    To generate correct mature mRNAs, the exons must be identified and joined together precisely and efficiently by RNA splicing mechanism. It is to be noted that about one third or a half of all disease-causing mutations effect RNA splicing. However, there is little bioinformatics tools to directly identify sequence variants associated with splicing events (SVASE) based on RNA-seq data. We developed ISVASE, a simple and convenient tool for identifying SVASE directly using RNA-seq data....
    Downloads: 0 This Week
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  • 12
    PDBManip

    PDBManip

    PDBManip is a free program for editing PDB (Protein Data Bank) Files

    PDBManip is a free program for editing and manipulating PDB (Protein Data Bank) files. It has a graphical user interface and it is provided as an executable file for running on Windows® operating systems. There is a bunch of free programs on the internet for the same purpose. What discriminate between PDBManip and those programs is that PDBManip uses AngelScript language which is very similar to C/C++ language, to write scripts to do our editing tasks. I know that the text-manipulation script...
    Downloads: 0 This Week
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  • 13
    Visualization of Protein-Ligand Graphs

    Visualization of Protein-Ligand Graphs

    Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools

    NOTE: Project moved to https://github.com/MolBIFFM/PTGLtools. The Visualization of Protein-Ligand Graphs (VPLG) software package computes and visualizes protein graphs. It works on the super-secondary structure level and uses the atom coordinates from PDB files and the SSE assignments of the DSSP algorithm. VPLG is command line software. If you do not like typing commands, try our PTGL web server: http://ptgl.uni-frankfurt.de/
    Downloads: 0 This Week
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  • 14

    RGAAT

    Reference based genome assembly and annotation for new genome

    This program can assemble and/or annotate genome for new genome and known genome upgrade using sequence alignment file (SAM or BAM format), sequence variant file (VCF format or five coloum table (tab-delimited, including chromosome, position, id, reference allele and alternative allele)) or new genome sequence file (FASTA format) based on reference genome sequence file (FASTA format) and annotation file (TBL, GTF, GFF, GFF3 or BED format).
    Downloads: 0 This Week
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  • 15
    2DFLT

    2DFLT

    Program for Normalization, Averaging and Editing of In Situ Data Sets

    2DFLT it is first out of two programs which allows implementation of Phase Sensitive Detection (PSD) and/or Modulated Enhanced Diffraction (MED) techniques on the in situ data. This software allows collecting individual data files from in situ experiment into one dataset. After that this data set can be visualized, edited, normalized and averaged. Resulted data can be saved as one flat file (FLT-format) which can be used for PSD/MED calculations via 2DMED software (http://sourceforge.net...
    Downloads: 0 This Week
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  • 16
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work, please...
    Downloads: 0 This Week
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  • 17
    Periodic Table of Elements

    Periodic Table of Elements

    Periodic Table of Elements a quick reference tool

    Periodic Table of Elements is a quick reference tool that allows you a quick glance to get general information about an element. The program is for educational purposes.
    Downloads: 0 This Week
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  • 18
    Mychem is a chemoinformatics extension for MySQL.
    Downloads: 0 This Week
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  • 19
    A toolkit in C++ and python to process both experimental and simulation data of colloidal particles. Includes among others * a multiscale particle tracking algorithm [1] whose C++ implementation is optimised for 3D confocal data. Python implementation is more versatile (2D and 3D data). * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement...
    Downloads: 0 This Week
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  • 20
    2DMED

    2DMED

    Phase Sensitive Detection and Modulated Enhanced Diffraction Software

    2DMED it is the second out of two programs which allows implementation of Phase Sensitive Detection (PSD) and/or Modulated Enhanced Diffraction (MED) techniques on the in situ data. This software takes normalized and averaged in situ data in flat file format (FLT) and performs PSD transformation which has been described in Urakawa, A.et al. Chem. Eng. Science 2008, 63, 4902. User can choose demodulation index k and perform several demodulation calculations. This is extremely important since...
    Downloads: 0 This Week
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  • 21
    gMol

    gMol

    gMol molecular graphics

    We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces.
    Downloads: 0 This Week
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  • 22

    PolySim

    Polymer simulation utilites

    Polymer simulation utilites for bead coarse-grained models of polymers. Includes 1) lattice monte carlo. Many kinds of lattices are supported. It shouldn't be a problem to implement any new specific one (discrete models) 2) off-lattice monte carlo and molecular dynamics (continuous models) Latter one is rebuild of earlier version of simpatico (http://gemini.cems.umn.edu/research/morse/code/simpatico/home.php) project. Input and output are based on PDB file format which is better...
    Downloads: 0 This Week
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  • 23

    PeptideManager_LRNO

    Unique Peptide Sequence Finder (host background (xenografts) friendly)

    PeptideManager is aimed to help the pre-selection of unique peptide sequences for the design of targeted proteomics approaches. Its main advantage is to allow the presence of a host/background proteome (e.g., xenograft samples) during this peptide sequences selection. PeptideManager can build peptide sequences databases from various public repository (SwissProt/Trembl/UniProt, RefSeq, IPI) and various proteases. For any use, please refer to the publication: doi:...
    Downloads: 2 This Week
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  • 24
    This package contains code for use with Short Read DNA Sequencing technologies, and includes packages for ChIP-Seq, Whole Transcriptome Shotgun Sequencing, Whole Genome Shotgun Sequencing, SNP Detection, Transcript expression and file conversion.
    Downloads: 2 This Week
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  • 25
    Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.
    Downloads: 1 This Week
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