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-- MySQL dump 10.9
--
-- Host: diclofenac Database: structures
-- ------------------------------------------------------
-- Server version 4.1.10a
/*!40101 SET @OLD_CHARACTER_SET_CLIENT=@@CHARACTER_SET_CLIENT */;
/*!40101 SET @OLD_CHARACTER_SET_RESULTS=@@CHARACTER_SET_RESULTS */;
/*!40101 SET @OLD_COLLATION_CONNECTION=@@COLLATION_CONNECTION */;
/*!40101 SET NAMES utf8 */;
/*!40014 SET @OLD_UNIQUE_CHECKS=@@UNIQUE_CHECKS, UNIQUE_CHECKS=0 */;
/*!40014 SET @OLD_FOREIGN_KEY_CHECKS=@@FOREIGN_KEY_CHECKS, FOREIGN_KEY_CHECKS=0 */;
/*!40101 SET @OLD_SQL_MODE=@@SQL_MODE, SQL_MODE='NO_AUTO_VALUE_ON_ZERO' */;
--
-- Table structure for table `atom_coord`
--
DROP TABLE IF EXISTS `atom_coord`;
CREATE TABLE `atom_coord` (
`id` int(11) NOT NULL auto_increment,
`conformation_id` int(11) default NULL,
`x` float default NULL,
`y` float default NULL,
`z` float default NULL,
`atom_idx` int(2) default NULL,
PRIMARY KEY (`id`)
) ENGINE=MyISAM DEFAULT CHARSET=latin1 MAX_ROWS=500000000;
--
-- Table structure for table `conformation_generation`
--
DROP TABLE IF EXISTS `conformation_generation`;
CREATE TABLE `conformation_generation` (
`method_id` int(11) NOT NULL auto_increment,
`method` text,
`parameters` text,
PRIMARY KEY (`method_id`)
) ENGINE=MyISAM DEFAULT CHARSET=latin1;
--
-- Table structure for table `conformations`
--
DROP TABLE IF EXISTS `conformations`;
CREATE TABLE `conformations` (
`id` int(11) NOT NULL auto_increment,
`topology_id` int(11) default NULL,
`method_id` int(11) default NULL,
PRIMARY KEY (`id`)
) ENGINE=MyISAM DEFAULT CHARSET=latin1 MAX_ROWS=100000000;
--
-- Table structure for table `connection_table_atoms`
--
DROP TABLE IF EXISTS `connection_table_atoms`;
CREATE TABLE `connection_table_atoms` (
`id` int(11) NOT NULL auto_increment,
`topology_id` int(11) default NULL,
`atom_number` int(2) default NULL,
`element` char(2) default NULL,
`formal_charge` int(1) default NULL,
`name` char(8) default NULL,
PRIMARY KEY (`id`)
) ENGINE=MyISAM DEFAULT CHARSET=latin1 MAX_ROWS=4294967295;
--
-- Table structure for table `connection_table_bonds`
--
DROP TABLE IF EXISTS `connection_table_bonds`;
CREATE TABLE `connection_table_bonds` (
`id` int(11) NOT NULL auto_increment,
`topology_id` int(11) default NULL,
`bond_number` int(2) default NULL,
`atom1` int(2) default NULL,
`atom2` int(2) default NULL,
`bond_order` int(1) default NULL,
`stereo` int(1) default NULL,
PRIMARY KEY (`id`)
) ENGINE=MyISAM DEFAULT CHARSET=latin1 MAX_ROWS=4294967295;
--
-- Table structure for table `topology`
--
DROP TABLE IF EXISTS `topology`;
CREATE TABLE `topology` (
`topology_id` int(11) NOT NULL auto_increment,
`source_id` text,
`name` text,
PRIMARY KEY (`topology_id`)
) ENGINE=MyISAM DEFAULT CHARSET=latin1;
/*!40101 SET SQL_MODE=@OLD_SQL_MODE */;
/*!40014 SET FOREIGN_KEY_CHECKS=@OLD_FOREIGN_KEY_CHECKS */;
/*!40014 SET UNIQUE_CHECKS=@OLD_UNIQUE_CHECKS */;
/*!40101 SET CHARACTER_SET_CLIENT=@OLD_CHARACTER_SET_CLIENT */;
/*!40101 SET CHARACTER_SET_RESULTS=@OLD_CHARACTER_SET_RESULTS */;
/*!40101 SET COLLATION_CONNECTION=@OLD_COLLATION_CONNECTION */;
|
