Charlie’s path to dEAth

被树熊点到了
规则：

1、被点到名字的人要在自己的Blog上写下答案, 要真实回答,并加出一个题目,然后要将这些题目传给你的五个好朋友, 通知对方”你被点名了”.
2、这五个人要在自己的Blog上注明是在哪接到的题目, 然后写下答案, 并另写一个问题，再将题目传给另外五个(可以不限制啦)朋友, 让游戏继续下去, 不得回传, 被点名的人将得到大家的祝福, 并且所有美丽的愿望都会在不久以后得以实现.
3、虽然不可以回点, 但是你的朋友的朋友还是可能会点到你, 如果有第二次, 甚至第三次点到,那说明你将会是一个非常幸运和幸福的人.

1.2006你最开心的事是什么？
成功结婚

2.2006年最难过的事是什么？
失去亲人

3.2007年最大的心愿是什么？
保持现状

4.最大的愿望：
生个健康的孩子

5.如果现在可以让你随心所欲去旅行，你想去哪？
香港

6.你最满意自己身体哪个部位？与别人初次见面你会先注意他（她）哪个部位？
手，脸

7.失眠过吗？你用什么办法对抗失眠？
没有，早睡早起，睡前跑步喝牛奶

8.会不会做饭？你希望你的伴侣（or 未来的伴侣）会做饭吗？
会，事实上我媳妇也会

9.你最想做哪个动画片角色？为什么？
小猫Tom，无论怎么折腾似乎永远也不会死

10.在你心中我是怎么样一个人？
简单的小姑娘 　　

11.如果可以重来,你最想改变的是什么？
生在富豪家，感受一下做个败家子的滋味，然后临幸温柔善良的贴身丫鬟
　
12.觉得自己是个自恋的人么?
觉得

13.爱人爱到怎样的程度才算是超过爱自己呢？
不知道，没有过这样的感受

14.你理想的伴侣应该具备什么样的品质？
正直宽容，健康

15.谈谈你最近在听的音乐吧．
从来都是随机听歌

16.你会出于什么样的理由结婚? 或者是出于什么样的理由单身?
人生来就是为了结婚生子的（美极的教诲，很有道理，一直没忘）

17.如果现在你有自由权利可以杀掉一个人，你选谁，为什么？
如果你现在可以随便kiss一个人,你选谁?为什么?
杀皇上，较比有成就感
亲树熊，因为她问我问题，问我这个问题的小姑娘肯定是暗示我亲她

18.和恋人分手了你会把对方的手机，msn，qq删掉么，如果删掉为什么？
不会。

19.如果可以按照自己的想法去实现,你希望在多少岁时结婚,为什么？
希望早一点，22岁左右吧，那个时候正是应该结婚的时候
　
20.写下目前在你的生命中最重要最珍贵的三个朋友的名字(恋人不算)
不答

21.用一两个词来描述一下你自己吧
聪明，普通

22.你怎么规划你的人生?
我会活着活着，然后突然有一天，我就死了

23.什么事情让你觉得最开心
像个真正的傻子一样无忧无虑肆无忌惮地做傻事

我的问题：
24.要个什么样的小孩？风间、正男、阿呆还是小新？
自己的blog没啥观众，也不好点谁。问问也快要当爹的两位哥们吧，小白和8K。

Filed by charlie at 6:57 am under Friends, Life
1 Comment

媳妇怀孕了，现在最大的愿望就是能生个健康的小孩。母子平安。

媳妇不爱看动画片，除了蜡笔小新。不过我俩很早以前就争论过，希望要个什么样的小孩，风间、正男还是小新呢？

小新肯定是被立即排除了。有这样的孩子的话，我可降不住他，这个爹可没法当了。

媳妇希望生个风间那样的，文文静静，处处优秀。但是我最烦的就是这样的小孩了，因为我小时候就不是这样的。我小时候也很嫉妒很讨厌这样走到哪都把优越感抖露得满地都是的小孩。尤其风间太能装，太欠揍，就算是我儿子我也会没事就揍他。有诗为证：

装逼卖老，
一棒削倒。
眼珠踩冒，
肋骨全挑。

用古人的话讲就是强极必辱啊。

我最喜欢正南，真是个好小孩。有礼貌，懂得谦让，不争不抢，实实在在。对朋友很诚恳，小新惹祸之后他首先会关心小新有没有事。就算因为小新收了连累，也不会嫉恨朋友。我不想要一个非常优秀的小孩，只希望他每天都坦诚轻松，正直宽怀得像太阳一样温暖身边朋友。

就算是阿呆我也很高兴，虽然媳妇说阿呆像个傻子。有人觉得傻子很可怜，可我认为傻子最快乐。因为傻子敢于放纵感情，放纵行为；而且容易满足，容易专注于自己的事情，即便都是很简单弱智的事情。弱智的事情也理所当然，可以让自己对得起傻子的身份。能够专注，敢于放纵，虚怀而没有畏忌的人，才是可称为真正的聪明，是高人。水木上记得最清楚的一个签名档就是“弱智儿童快乐多”。

Filed by charlie at 6:54 am under Life
2 Comments

SMILES on Wikipeida

The original SMILES specification was developed by Arthur Weininger and David Weininger in the late 1980s. It has since been modified and extended by others, most notably by Daylight Chemical Information Systems Inc.

it also has a wide base of software support with extensive theoretical (e.g., graph theory) backing.

A common application of Canonical SMILES is for indexing and ensuring uniqueness of molecules in a database.

In terms of a graph-based computational procedure, SMILES is a string obtained by printing the symbol nodes encountered in a depth-first tree traversal of a chemical graph. The chemical graph is first trimmed to remove hydrogen atoms and cycles are broken to turn it into a spanning tree.

SMARTS is a modification of SMILES that allows, in addition to the SMILES elements, the specification of wildcard atoms and bonds. This is used in specifying search structures and is widely used in chemical database search applications.

Improved SMILES Substructure Searching , by Daylight

Daylight Theory Manual - Covering general information on representing molecules and an in-depth discussion of SMILES^TM, SMARTS^®, SMIRKS^®, fingerprints, THOR database concepts, and Merlin analysis <html, pdf>

SMARTS - A Language for Describing Molecular Patterns

Fingerprints - Screening and Similarity

OpenBabel, including Implementation of Daylight SMARTS molecular matching syntax

makefp is a command line program to compute hashed path fingerprints from input smiles, or other file formats such as sdf or mol files.

Checkmol is a command-line utility program which reads molecular structure files in different formats (see below) and analyzes the input molecule for the presence of various functional groups and structural elements.

Search by Functional groups

PubChem Similar Searches search allows you to find similar chemical structures to the provided query. Similarity is measured using the Tanimoto equation and a binary fingerprint computed for every structure in the PubChem Compound database. This fingerprint consists of a series of chemical substructure “keys”. Each key denotes the presence or absence of a particular substructure in a molecule. The fingerprint does not consider variation in stereochemical or isotopic information. Collectively, these binary keys provide a “fingerprint” of a particular chemical structure valence-bond form.

PubChem Substructure search allows you to locate chemical structures that contain the particular connectivity and valence bond pattern that you provide in your query. For example, a substructure search of ethanol (SMILES: OCC) would return, among others, acetic acid (SMILE: OC(=O)C), since ethanol is a substructure of acetic acid.

OpenEye software

Roll Your Own Chemical Database With Free Components

Creating a Web-based, Searchable Molecular Structure Database Using Free Software

How to create a web-based molecular structure database with free software, a fine presentation to read.

Filed by charlie at 4:28 pm under Engineer, chemoinformatics, resource
2 Comments

下载地址:rapidshare
解压密码:gigapedia

来源: http://rapidsharebooks.blogspot.com/2007/03/chemoinformatics-theory-practice.html

Chemoinformatics: Theory, Practice, & Products
Pages:295

Chemoinformatics:
Theory, Practice & Products covers theory, commercially available
packages and applications of Chemoinformatics. Chemoinformatics is
broadly defined as the use of information technology to assist in the
acquisition, analysis and management of data and information relating
to chemical compounds and their properties. This ranges from molecular
modelling, to reactions, to spectra, to structure-activity
relationships associated with chemicals. Computational scientists,
chemists, and biologists all rely on the rapidly evolving field of
Chemoinformatics. Chemoinformatics: Theory, Practice & Products is
an essential handbook for determining the right Chemoinformatics method
or technology to use. There has been an explosion of new
Chemoinformatics tools and techniques. Each technique has its own
utility, scope, and limitations, as well as meeting resistance to use
by experimentalists. The purpose of Chemoinformatics: Theory, Practice
& Products is to provide computational scientists, medicinal
chemists and biologists with unique practical information and the
underlying theories relating to modern Chemoinformatics and related
drug discovery informatics technologies.

The book also provides
a summary of currently available, state-of-the-art, commercial
Chemoinformatics products, with a specific focus on databases,
toolkits, and modelling technologies designed for drug discovery. It
will be broadly useful as a reference text for experimentalists wishing
to rapidly navigate the expanding field, as well as the more expert
computational scientists wishing to stay up to date.

It is
primarily intended for applied researchers from the chemical and
pharmaceuticalindustry, academic investigators, and graduate students.

Filed by charlie at 10:22 pm under chemoinformatics, resource
No Comments

Dreamhost用了一年，真好用，非常满意。功能丰富，太丰富了，好多我还都没搞懂怎么用。服务也好。就是太贵了，买个一年的就要千儿八百的，接受不了。用了一年的大减价，爽过还是换了吧，一年里空间和流量都用了不到千分之一。
SiteFlip是能找到最便宜的一个了，托人民币升值的福，80几块钱就可以买一年。反正我的要求也不高，国外的，能挂上域名，能用wordpress，有一点点空间就够了。毕竟只是个玩具。
这里推荐一下。
其实SiteFlip的服务也不错。网站上说Name server的设置要交一美刀，结果发了信过去，很大方地说，”Your DNS record modification has been completed for free. There is no charge to have google handle e-mail for your domain.”

Filed by charlie at 11:16 pm under Life
2 Comments