搜索资源列表
RMSD
- RMSD: Root Mean Square Deviation 是一种在分子模拟及预测中很常见的评价标准，通过Jacobi变换来的到一个大分子和目标分子的相似程度。常用来评价一个三维结构的预测结果是否足够准确.作者主页http://dillgroup.ucsf.edu/~bosco/ 压缩包里的html里还包括有Python代码-RMSD : Root Mean Square Deviation is a molecular si
m.files
- 1． 对薄膜形成与生长中相关物理过程及现象进行分析和建模。 2． 利用蒙特卡罗（Monte Carlo）方法和分子动力学（Molecular Dynamics）方法对薄膜形成与生长过程进行计算机模拟。 3． 对多孔硅形成的模拟。 -1. The film formation and growth of relevant physical processes and phenomena analysis and modelin
MD-VC
- 分子动力学的VC源码,可以方面的用语化学与材料计算方面的开发,希望有用.-Molecular dynamics of the VC source code, you can regard the language of the calculation of chemical and materials development, seek to help.
TimeIntegrationMethods
- TimeIntegrationMethods usin Molecular Dynamics
md
- The program md.f implements a simple molecular dynamics simulation in continuous real space. The velocity Verlet algorithm is used to implement the time stepping. The force and energy computations are performed in parall
dynamo
- 分子动力学程序dynamo，一个很好的程序，很多人都在用它，我也用过，觉得很不错呀-Molecular dynamics procedure dynamo, a very good program and many people are using it, I have used, you feel very good
peptide-molecular-weight-calculator
- 计算不长于23个氨基酸的多肽的分子量，识别20种常规氨基酸，分子量结果在序列输入完成后自动生成-Calculation of not longer than 23 amino acid peptide of molecular weight, identification of 20 conventional amino acids, molecular weight results in the sequence of input a
simulation
- 关于分子动力学模拟的讲义，希望对大家有用请大家下载。-Molecular Dynamics Simulation on the lecture, I hope all of you to download useful please.
a
- 生命蛋白质是由若干种氨基酸经不同的方式组合而成。在实验中，为了分析某个生命蛋白质的分子组成，通常用质谱实验测定其分子量x (正整数)，然后将分子量x分解为n个已知分子量a[i](i=1,.......,n)氨基酸的和的形式。某实验室所研究的问题中： n=18, x 1000 a[i](i=1,.......,18)分别为57, 71, 87, 97, 99, 101, 103, 113, 114, 115, 128, 129,
armd
- 简单的分子动力学教学程序！微正则系统下氩的分子动力学程序，给初学者看的！能运行！-Simple molecular dynamics teaching! Microcanonical system argon Molecular Dynamics procedures available to the beginner to see! Will be able to run!
mol_formula_calc
- Molecular Formula calculator 分子式计算器。用于FTICRMS傅立叶变换高分辨质谱仪分子峰分子式的计算。-Molecular Formula calculator is used for molecular formula calculation of FTICRMS ions.Version is v 1.0, 1998.
gridpackage
- This Package is useful for Molecular dynamics studies
fortran_samples
- 分子动力学模拟的一些程序-Molecular dynamics simulation of a number of procedures
MutipleViewDisplay
- 有机化学分子结构的多视角显示代码。基于OpenGL和VC++.-Mutipile view display of molecular structure,based on OpenGL and VC++.
molecular_dynamics
- molecular dynamics in two dimensions
MolDY
- 分子动力学模拟程序MOLDY -molecular dynamics simulation MOLDY
MD.tar
- Understanding Molecular Simulation From Algorithms to Applications.
Molecular-Weight-Calculator
- 化学式量计算器(包含VBScipt源码和C++源码)-The amount of chemical formula calculator (including VBScipt source and C++ source code)
Computational-Molecular-Evolution
- 介绍分子模型的实际应用，同时也介绍发展历程，是很好的一本参考书。-The practical application of molecular model is introduced and also introduces development course, is a very good reference books.
molecular-dynamics
- 有关于分子动力学的fortran程序源代码-Molecular dynamics on the fortran source code