-
Notifications
You must be signed in to change notification settings - Fork 0
/
index-26.html
266 lines (244 loc) · 12.5 KB
/
index-26.html
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
<!DOCTYPE html>
<html prefix="
og: http://ogp.me/ns#
article: http://ogp.me/ns/article#
" lang="en">
<head>
<meta charset="utf-8">
<meta name="description" content="Linux software for chemistry: molecular modeling, visualization, graphic, quantum mechanic, dynamic, kinetic, simulation">
<meta name="viewport" content="width=device-width">
<title>Linux4Chemistry (old posts, page 26) | Linux4Chemistry</title>
<link href="assets/css/all-nocdn.css" rel="stylesheet" type="text/css">
<link rel="alternate" type="application/rss+xml" title="RSS" href="rss.xml">
<link rel="canonical" href="https://linux4chemistry.github.io/index-26.html">
<!--[if lt IE 9]><script src="/assets/js/html5.js"></script><![endif]--><style>
div.input_prompt {
display: none;
}
</style>
</head>
<body>
<section class="social"><ul>
<li><a href="index.html" title="Home"><i class="icon-home"></i></a></li>
<li><a href="archive.html" title="Archives"><i class="icon-folder-open-alt"></i></a></li>
<li><a href="categories/index.html" title="Tags"><i class="icon-tags"></i></a></li>
<li><a href="rss.xml" title="RSS"><i class="icon-rss"></i></a></li>
<li><a href="stories/about.html" title="About linux4chemistry"><i class="icon-user"></i></a></li>
<li><a href="stories/definitions.html" title="Software licenses"><i class="icon-book"></i></a></li>
<li><a href="https://twitter.com/linux4chemistry" title="Twitter"><i class="icon-twitter"></i></a></li>
<li><a href="https://github.com/linux4chemistry/linux4chemistry.github.io" title="Github"><i class="icon-github"></i></a></li>
</ul></section><section class="page-content"><div class="content" rel="main">
<div class="post">
<h1 class="title"><a href="posts/deneb.html">DENEB</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/3d-viewer.html" rel="tag">3D Viewer</a></li>
<li><a class="tag p-category" href="categories/quantum-mechanics.html" rel="tag">Quantum Mechanics</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DENEB is a powerful graphical user interface to many DFT calculation packages as SIESTA, VASP and QE. It is capable of managing hundreds of projects, each containing hundreds of simulations applied to different samples, every one containing thousands of atoms.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dino.html">DINO</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/3d-viewer.html" rel="tag">3D Viewer</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DINO is a realtime 3D visualization program for structural biology data. DINO aims to visualize all this structural data in a single program and to allow the user to explore relationships between the data.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dirac.html">Dirac</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/quantum-mechanics.html" rel="tag">Quantum Mechanics</a></li>
</ul>
</div>
</div>
<div class="body">
<p>Dirac (Direct Iterative Relativistic All-electron Calculations) uses FORTRAN (and a bit of C) code for relativistic molecular calculations based on the Dirac-Coulomb Hamiltonian. It solves the the 4-component DHF equations by the SCF iterative procedure and provides tools for analysis of the converged wave function.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dirdif.html">DIRDIF</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/crystallography.html" rel="tag">Crystallography</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DIRDIF performs crystal structure determination by Patterson methods and direct methods applied to difference structure factors.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dismol.html">DisMol</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/3d-viewer.html" rel="tag">3D Viewer</a></li>
<li><a class="tag p-category" href="categories/bsd-compatible.html" rel="tag">Bsd Compatible</a></li>
<li><a class="tag p-category" href="categories/java.html" rel="tag">Java</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DisMol is a molecular viewer applet written in Java, which allows molecular structures to be viewed on the web.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dl-visualize.html">DL Visualize</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/3d-viewer.html" rel="tag">3D Viewer</a></li>
<li><a class="tag p-category" href="categories/crystallography.html" rel="tag">Crystallography</a></li>
<li><a class="tag p-category" href="categories/quantum-mechanics.html" rel="tag">Quantum Mechanics</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DL Visualise provides a powerful interface for constructing and visualizing crystals, surfaces and molecules and their properties. It has interfaces to CRYSTAL, DX_EXCURV and GULP.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dl_meso.html">DL_MESO</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/mesoscopic-modeling.html" rel="tag">Mesoscopic Modeling</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DL_MESO is a general purpose mesoscopic simulation package developed at Daresbury Laboratory as part of a collaborative computational project for the Computer Simulation of Condensed Phases (CCP5). DL_MESO can simulate condensed phases using the Lattice-Boltzmann Equation, Dissipative Particle Dynamics and Smoothed Particle Hydrodynamics.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dl_poly.html">DL_POLY</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/molecular-dynamics.html" rel="tag">Molecular Dynamics</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DL_POLY is a package of subroutines, programs and data files, designed to facilitate MD simulations of macromolecules, polymers, ionic systems and solutions on a distributed memory parallel computer. This package is free for UK academics.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dmax-chemistry-assistant.html">DMax Chemistry Assistant</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/cheminformatics.html" rel="tag">Cheminformatics</a></li>
</ul>
</div>
</div>
<div class="body">
<p>DMax Chemistry Assistant automatically finds, formulates and shows scientific hypotheses that best match observations in a high-throughput screen. It also makes a statistical estimate of the confidence you can have in each hypothesis, and it can predict unmeasured values based on past measurements.</p>
</div>
</div>
<div class="post">
<h1 class="title"><a href="posts/dockres.html">Dockres</a></h1>
<div class="meta">
<div class="authordate">
<time class="timeago" datetime="2013-03-04T00:00:00+01:00">2013-03-04 00:00</time>
</div>
<div class="stats">
</div>
<div itemprop="keywords" class="tags">
<ul>
Tags :
<li><a class="tag p-category" href="categories/docking.html" rel="tag">Docking</a></li>
</ul>
</div>
</div>
<div class="body">
<p>Dockres reads the log file of docking runs performed by Autodock and extracts the top scoring poses subject to various filters. The program also calculates distributions of various properties of the ligand set (e.g. molecular weight, number of hydrogen bond donors) and the distribution of docking sites as well as the distribution of docking free energies per target residue.</p>
</div>
</div>
<nav class="postindexpager"><ul class="pager">
<li class="previous">
<a href="index-27.html" rel="prev">Newer posts</a>
</li>
<li class="next">
<a href="index-25.html" rel="next">Older posts</a>
</li>
</ul></nav><footer id="footer"><p>Contents © 2017 <a href="mailto:ueb@linux4chemistry.info">l4c</a> - Powered by <a href="https://getnikola.com" rel="nofollow">Nikola</a> </p>
</footer>
</div>
</section><script src="assets/js/all-nocdn.js" type="text/javascript"></script><script type="text/javascript" src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"> </script><script type="text/x-mathjax-config">
MathJax.Hub.Config({tex2jax: {inlineMath: [['$latex ','$'], ['\\(','\\)']]}});
</script><script type="text/javascript">
$(function(){
$('.timeago').timeago();
});
</script>
</body>
</html>