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楼主: luoyuwen

科学与计算软件汇总-----为新手指南

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 楼主| 发表于 2005-8-21 10:37:59 | 显示全部楼层
科技排版软件TeX/LaTeX

本来这个软件不应该在这儿介绍,但是做科学研究的人会经常用到它来排版论文,就先拿来说说吧。

TeX/LaTeX是目前最优秀的排版软件,排版非常整齐,漂亮,在排版数学公式方面功能尤其强大,排版效率速度极快。

关于这个软件,我们可以在中文TeX网站上找到相关的信息:www.ctex.org
你可以到这个网站上去下载这个软件,你还可以去这个网站的论坛上去寻找你的问题的解答。
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发表于 2005-8-21 11:21:01 | 显示全部楼层
化学结构编辑器:chemtool:
Chemical structures drawing program
Chemtool is a GTK+ based 2D chemical structure editor for X11. It
supports many bond styles, most forms of text needed for chemical
typesetting and splines/arcs/curved arrows.
.
Drawings can be exported to MOL and PDB format, SVG or XFig format for
further annotation, as a PiCTeX drawing, as a bitmap or as Postscript
files (several of these through XFig's companion program transfig).
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发表于 2005-8-21 11:22:13 | 显示全部楼层
数据可视化:dx
dx - OpenDX (IBM Visualization Data Explorer) - main package
Data Explorer is a system of tools and user interfaces for visualizing data. In
general terms the visualization of data can be considered a 3-stage process:
   1. Describing and importing data
   2. Processing the data through a visualization program
   3. Presenting the resulting image.
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发表于 2005-8-21 11:28:08 | 显示全部楼层
很多软件在debianscience分类里面,不一一列举了,相关专业的请自己去查找:
http://packages.debian.org/unstable/science/

achilles (2-4)
    An artificial life and evolution simulator
arb (0.0.20050506-2) [non-free]
    [Biology] Integrated package for data handling and analysis
arb-common (0.0.20050506-2) [non-free]
    [Biology] Integrated package for data handling and analysis
arb-doc (0.0.20050506-2) [non-free]
    [Biology] Integrated package for data handling and analysis
avida-base (2.0b7-3)
    Auto-adaptive genetic system for Artificial Life research
avida-qt-viewer (2.0b7-3)
    qt viewer for avida
avida-viewer (2.0b7-3)
    ncurses viewer for avida
biococoa.app (1.6.0-1)
    Sequence file format conversion for GNUstep
biomode (1.002-7)
    [Biology] An Emacs mode to edit genetic data
bioperl (1.4-1)
    Perl tools for computational molecular biology
blast2 (1:2.2.10.20050429-1 [m68k], 1:2.2.11.20050605-2 [alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc])
    Basic Local Alignment Search Tool
boxshade (3.1.1-1)
    [Biology] Pretty-printing of multiple sequence alignments
cassbeam (1.0-6)
    A program for Cassegrain antenna modelling
celestia-common (1.3.2-2)
    Datafiles for Celestia, a real-time visual space simulation
celestia-glut (1.3.2-2)
    A real-time visual space simulation (GLUT frontend)
cernlib (2005.05.09-3)
    almost complete set of Debian Cernlib packages
cernlib-core (2005.05.09-3)
    Cernlib main libraries and programs
cernlib-core-dev (2005.05.09-3)
    Cernlib development headers, tools, and static libraries
cernlib-extras (2005.05.09-3)
    miscellaneous Cernlib programs unlikely to be used by many
cernlib-montecarlo (2005.05.09-3)
    Cernlib Monte Carlo libraries
chemtool (1.6.6-1 [hurd-i386], 1.6.7-1 [hppa], 1.6.7-2 [alpha,amd64,arm,i386,ia64,m68k,mips,mipsel,powerpc,s390,sparc])
    Chemical structures drawing program
clustalw (1.83-1) [non-free]
    [Biology] Global multiple nucleotide or peptide sequence alignment
clustalw-mpi (0.13-2) [non-free]
    [Biology] MPI-distributed global sequence alignment with ClustalW
clustalx (1.83-1) [non-free]
    [Biology] GUI for clustalw
ctsim (4.3.2-1 [alpha,amd64,arm,hppa,ia64,m68k,mips,mipsel,powerpc,s390,sparc], 4.3.3-2 [i386])
    Computed tomography simulator
ctsim-athlon (4.3.3-2)
    Computed tomograpy simulator (Athlon optimized)
ctsim-help (4.3.3-2)
    Online help file for CTSim
ctsim-pentium4 (4.3.3-2)
    Computed tomograpy simulator (Pentium 4 optimized)
dcmtk (3.5.3-3 [m68k], 3.5.3-4 [alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc])
    The OFFIS DICOM toolkit command line utilities
drawmap (2.5-1)
    draws customized maps, using raw USGS data files
dx (1:4.3.2-5)
    OpenDX (IBM Visualization Data Explorer) - main package
dxsamples (4.2.0-1)
    Sample programs for the OpenDX Data Explorer
ent (1.0-5)
    pseudorandom number sequence test program
fastdnaml (1.2.2-5)
    [Biology] A tool for construction of phylogenetic trees of DNA sequences
fastlink (4.1P-fix91-1)
    [Biology] A faster version of pedigree programs of Linkage
fastlink-doc (4.1P-fix91-1)
    [Biology] Some papers about fastlink
felt (3.06-9)
    Package for introductory level finite element analysis
fityk (0.5.0p1-1 [hurd-i386,ia64,m68k], 0.5.1-1 [alpha,amd64,arm,hppa,i386,mips,mipsel,powerpc,s390,sparc])
    general-purpose nonlinear curve fitting and data analysis
fv (3.0-11)
    a tool for viewing and editing FITS format files
g3data (1:1.4.0.1-1)
    extract data from scanned graphs
garlic (1.4-1)
    A visualization program for biomolecules
gdal-bin (1.2.6-1.2 [alpha,i386,ia64,mips,mipsel,powerpc,s390], 1.2.6-1 [amd64,arm,hppa,m68k,sparc])
    Geospatial Data Abstraction Library - Utility programs
gdis (0.86-1)
    molecular display
gdpc (2.2.4-1)
    visualiser of molecular dynamic simulations
gdpc-examples (2.2.4-1)
    example files for the gdpc program
geant321 (2005.05.09-3)
    [Physics] Particle detector description and simulation tool
geant321-data (2005.05.09-3)
    [Physics] Data for Geant 3.21 detector simulator
genesis (2.2.1-5)
    general-purpose neural simulator
gff2aplot (2.0-3)
    pair-wise alignment-plots for genomic sequences in PostScript
gff2ps (0.98d-1)
    produces PostScript graphical output from GFF-files
gliese (1.1-12) [non-free]
    Stellar data set from the Third Catalogue of Nearby Stars
gmt (3.4.4-1)
    Generic Mapping Tools
gmt-tutorial-pdf (3.4-1.1)
    Tutorial for the Generic Mapping Tools (PDF)
gperiodic (2.0.7-5 [alpha,amd64,arm,hppa,i386,ia64,m68k,mips,mipsel,powerpc,s390,sparc], 2.0.7-4 [hurd-i386])
    periodic table application
gpib-modules-source (3.2.04-4)
    kernel modules for various GPIB boards
gpx2shp (0.69-1)
    convert GPS or GPX file to ESRI Shape file
grass (6.0.0-1)
    Geographic Resources Analysis Support System
grass-doc (6.0.0-1)
    Geographic Resources Analysis Support System documentation
gri (2.12.9-2)
    a language for scientific illustration.
gri-el (2.12.9-2)
    Emacs major-mode for gri, a language for scientific graphics.
h5utils (1.9.1-2)
    HDF5 files visualization tools
hdf5-tools (1.6.4-2)
    Hierarchical Data Format 5 (HDF5) - Runtime tools
hmmer (2.1.4)
    models protein or nucleic acid sequences.
hodie (1.4-3)
    prints the date in latin
ifrit (2.9.3-1)
    a powerful tool for visualizing 3-dimensional data sets
kalzium (4:3.3.2-3)
    chemistry teaching tool for KDE
kstars (4:3.3.2-3)
    desktop planetarium for KDE
kstars-data (4:3.3.2-3)
    data files for KStars desktop planetarium
kxterm (2005.05.09-1 [sparc], 2005.05.09-2 [hppa], 2004.11.04-3 [m68k], 2005.05.09-3 [alpha,amd64,arm,i386,ia64,mips,mipsel,powerpc,s390])
    Cernlib's KUIP terminal emulator
leksbot (1.2-8)
    An explanatory dictionary of botanic and biological terms
libarb (0.0.20050506-2) [non-free]
    [Biology] Integrated package for data handling and analysis
libbio-ruby (0.6.2-2)
    bioruby tools for computational molecular biology
libbio-ruby1.8 (0.6.2-2)
    bioruby tools for computational molecular biology
libghemical-data (1.90-1)
    Molecular Modelling Library (Data Files)
libgpib-bin (3.2.04-3 [hppa], 3.2.04-4 [alpha,amd64,arm,i386,ia64,m68k,mips,mipsel,powerpc,s390,sparc])
    libgpib support applications and configuration
libpostgis-java (1.0.0-1)
    geographic objects support for PostgreSQL. JDBC
loki (2.4.7.4-1)
    [Biology] MCMC linkage analysis on general pedigrees
loki-doc (2.4.7.4-1)
    [Biology] Postscript manual for loki
mayavi (1.4-1)
    A scientific data visualization system
minc-tools (1.4-1)
    MNI medical image format tools
mipe (1.1-1)
    [Biology] Tools to store PCR-derived data
mn-fit (5.06-1.0.1 [hppa], 5.06-1 [arm,i386,mips,mipsel,powerpc,s390,sparc])
    interactive analysis package for fitting data and histograms
mn-fit-common (5.06-1)
    common files for Mn_Fit
molphy (2.3b3-1 [alpha,amd64,hppa,ia64,m68k,mips,powerpc,s390], 2.3b3-2 [arm,i386,sparc]) [non-free]
    [Biology] Program Package for MOLecular PHYlogenetics
montecarlo-base (2005.05.09-3)
    [Physics] Common files for Cernlib Monte Carlo libraries
mozilla-firefox-biofox (1.0.1-1)
    bioinformatics tools as an extension to Firefox browser
mpb (1.4.2-7 [alpha,amd64,i386,ia64,m68k,mips,mipsel,powerpc,s390,sparc], 1.4.2-7.0.1 [hppa])
    MIT Photonic-Bands
mpb-mpi (1.4.2-7 [alpha,amd64,i386,ia64,m68k,mips,mipsel,powerpc,s390,sparc], 1.4.2-7.0.1 [hppa])
    MIT Photonic-Bands, parallel (mpich) version
mpqc (2.2.2-3 [hurd-i386], 2.2.3-1 [m68k], 2.2.3-2 [alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc])
    The Massively Parallel Quantum Chemistry Program
mpqc-support (2.2.2-3 [hurd-i386], 2.2.3-1 [m68k], 2.2.3-2 [alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc])
    Support programs and tools for MPQC
mssstest (2.0-2) [non-free]
    Normalisation of disease scores for patients with Multiple Sclerosis
muscle (3.52-2)
    [Biology] multiple alignment program of protein sequences
muscle-doc (3.52-2)
    [Biology] documentation to sequence alignment program
ncbi-epcr (1.2.0-3)
    [Biology] Tool to test a DNA sequence for the presence of sequence tagged sites
ncbi-epcr-data (1.2.0-3)
    [Biology] NCBI public STS data
ncbi-tools-bin (6.1.20050605-2 [alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc], 6.1.20050429-1 [m68k])
    NCBI libraries for biology applications (text-based utilities)
ncbi-tools-x11 (6.1.20050605-2 [alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc], 6.1.20050429-1 [m68k])
    NCBI libraries for biology applications (X-based utilities)
netcdf-bin (3.5.0-7.1)
    Support programs for NetCDF.
netcdfg3 (3.5.0-7.1)
    An interface for scientific data access.
njplot (0.20041129-2)
    [Biology] A tree drawing program
openbabel (1.100.2-3 [alpha,amd64,arm,hppa,i386,ia64,m68k,mips,mipsel,powerpc,s390,sparc], 1.100.2-2 [hurd-i386])
    Convert and manipulate chemical data files
openuniverse (1.0beta3.1-2)
    3D Universe Simulator
openuniverse-common (1.0beta3.1-2)
    3D Universe Simulator data files
paje.app (1.3.2-4)
    generic visualization tool (Gantt chart and more)
paw (2005.05.09-1 [sparc], 2005.05.09-2 [hppa], 2004.11.04-3 [m68k], 2005.05.09-3 [alpha,amd64,arm,i386,ia64,mips,mipsel,powerpc,s390])
    Physics Analysis Workstation - a graphical analysis program
paw++ (2005.05.09-1 [sparc], 2005.05.09-2 [hppa], 2004.11.04-3 [m68k], 2005.05.09-3 [alpha,amd64,arm,i386,ia64,mips,mipsel,powerpc,s390])
    Physics Analysis Workstation (Lesstif-enhanced version)
paw++-static (2005.05.09-1 [sparc], 2005.05.09-2 [hppa], 2004.11.04-3 [m68k], 2005.05.09-3 [alpha,amd64,arm,i386,ia64,mips,mipsel,powerpc,s390])
    Physics Analysis Workstation (Lesstif-enhanced version)
paw-common (2005.05.09-3)
    Physics Analysis Workstation (common files)
paw-demos (2005.05.09-3)
    Physics Analysis Workstation examples and tests
paw-static (2005.05.09-1 [sparc], 2005.05.09-2 [hppa], 2004.11.04-3 [m68k], 2005.05.09-3 [alpha,amd64,arm,i386,ia64,mips,mipsel,powerpc,s390])
    Physics Analysis Workstation - a graphical analysis program
perlprimer (1.1.8-1)
    [Biology] graphical design of primers for PCR
php4-gpib (3.2.04-3 [hppa], 3.2.04-4 [alpha,amd64,arm,i386,ia64,m68k,mips,mipsel,powerpc,s390,sparc])
    libgpib php bindings
phylip (1:3.6.1-2) [non-free]
    [Biology] A package of programs for inferring phylogenies
phylip-doc (1:3.6.1-2) [non-free]
    [Biology] A package of programs for inferring phylogenies
planets (0.1.12-4)
    Gravitation simulation of planetary bodies
polyxmass (0.8.8)
    Mass spectrometry software framework
polyxmass-bin (0.8.8-1)
    Mass spectrometry framework - GUI program
polyxmass-common (0.8.6-1)
    Mass spectrometry framework - essential polymer chemistry data
polyxmass-data (0.8.5-1)
    Mass spectrometry framework - supplementary chemical data
praat (4.3.14-1)
    program for speech analysis and synthesis
proj (4.4.9-1)
    Cartographic projection filter and library
pymol (0.97-2 [m68k], 0.98-1 [alpha,amd64,arm,hppa,i386,ia64,mips,mipsel,powerpc,s390,sparc])
    An OpenGL Molecular Graphics System written in Python
qgis (0.6.0-2)
    Geographic Information System (GIS)
qgis-dev (0.6.0-2)
    QGIS Geographic Information System - development files
qmc (0.94-3)
    Quine McClusky Simplification Tool
qtdmm (0.8.4-1)
    GUI for digital multimeter
rasmol (2.7.2.1.1-3)
    Visualize biological macromolecules
rasmol-doc (2.7.2.1.1-3)
    Documentation for rasmol
raster3d (2.7c-5) [non-free]
    tools for generating images of proteins or other molecules
raster3d-doc (2.7c-5) [non-free]
    documents and example files for Raster3D
readseq (1-6)
    [Biology] Conversion between sequence formats
saods9 (3.0.3-1)
    image display tool for astronomy
seaview (20021127-4) [contrib]
    [Biology] A multiple sequence alignment editor
seesat5 (0.90.10-1)
    a satellite location program
sim4 (0.0.20030921-1)
    tool for aligning cDNA and genomic DNA
spass (2.1-3)
    An automated theorem prover for first-order logic with equality
ssystem (1.6-15)
    3D solar system simulator
starplot (0.95.2-2)
    3-dimensional perspective star map viewer
stars (0.12+1-1) [contrib]
    star map program that draws the night sky
stellarium (0.6.2-2)
    real-time photo-realistic sky generator
stellarium-data (0.6.2-2)
    datafiles for Stellarium, a real-time photo-realistic sky generator
survex (1.0.34)
    cave surveying and mapping software
survex-aven (1.0.34)
    sophisticated cave survey viewer for Survex
survex-svxedit (1.0.34)
    survey data editor for Survex
t-coffee (2.50-1)
    [Biology] Multiple Sequence Alignment
tessa (0.3.1-2)
    simulation of 3D optical systems with the FDTD method
tessa-mpi (0.3.1-2)
    simulation of 3D optical systems using FDTD on LAM-MPI clusters
textopo (1.3-2)
    [Biology] LaTeX presentation of topology of transmembrane proteins
therion (0.3.6-1)
    Cave surveying - 2D and 3D drawing software
tigr-glimmer (2.13-1)
    [Biology] Gene detection in archea and bacteria
tochnog (20010124-2.1)
    A free implicit/explicit finite element analysis program
transcalc (0.13-1.1)
    microwave and RF transmission line calculator
tree-puzzle (5.2-1)
    [Biology] Reconstruction of phylogenetic trees by maximum likelihood
treetool (2.0.2a-2 [m68k], 2.0.2a-3 [alpha,arm,hppa,i386,mips,mipsel,powerpc,s390,sparc]) [non-free]
    [Biology] An interactive tool for displaying trees
units-filter (1.0-3)
    Parser for expressions concerning physical values
viewmol (2.4.1-6)
    A graphical front end for computational chemistry programs.
xbs (0-7.2)
    3-d models and movies of molecules
xdrawchem (1.9.4-3)
    an open-source version of ChemDraw
xmakemol (5.14-1)
    A program for visualizing atomic and molecular systems
xmakemol-gl (5.14-1)
    A program for visualizing atomic and molecular systems
xplot (1.19-6)
    a simple x-y column data plotter for X.
xtide (2.6.4-1)
    provides tide and current predictions
xtide-data (20040203-1)
    Harmonics data for xtide
yale (1.0-11) [non-free]
    Stellar data set from the Third Catalogue of Nearby Stars
ygraph (0.15-1)
    Visualize one-dimensional scientific data
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发表于 2005-8-21 11:34:44 | 显示全部楼层
数据处理:sed
sed reads the specified files or the standard input if no files are specified, makes
editing changes according to a list of commands, and writes the results to the
standard output.
请去Linux shell进阶应用与shell编程 查找相关信息
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发表于 2005-8-21 11:36:47 | 显示全部楼层
数据处理:
awk是一种程序语言,对文档资料的处理具有很强的功能
gawk的主要功能
gawk 的主要功能是针对文件的每一行( l i n e ),也就是每一条记录,搜寻指定的格式。当某
一行符合指定的格式时,gawk 就会在此行执行被指定的动作。gawk 依此方式自动处理输入文
件的每一行直到输入文件档案结束。
g a w k经常用在如下的几个方面:
• 根据要求选择文件的某几行,几列或部分字段以供显示输出。
• 分析文档中的某一个字出现的频率、位置等。
• 根据某一个文档的信息准备格式化输出。
• 以一个功能十分强大的方式过滤输出文档。
• 根据文档中的数值进行计算。
摘自:http://www.linuxsir.cn/bbs/showthread.php?t=103785

`awk', a program that you can use to select particular records in a file and perform
operations upon them.

Gawk is the GNU Project's implementation of the AWK programming language. It conforms
to the definition of the language in the POSIX 1003.2 Command Language And Utilities
Standard. This version in turn is based on the description in The AWK Programming
Language, by Aho, Kernighan, and Weinberger, with the additional features defined in
the System V Release 4 version of UNIX awk. Gawk also provides more recent Bell Labs
awk extensions, and some GNU-specific extensions.

请去Linux shell进阶应用与shell编程版
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发表于 2005-8-21 13:47:02 | 显示全部楼层
简单的数据处理
gnu bc是一种简单的计算机指令程式,亦支持脚本语言的实现。其突出优点是支持不限精度的运算。
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