SDFParser example Cypher outputs

SDF parser SDF to Cypher outputs<br><br><b>Used databases</b>* ChEBI complete 3star (ftp://ftp.ebi.ac.uk/pub/databases/chebi/SDF/ChEBI_complete_3star.sdf.gz; downloaded: 2018-05-04; first 4000 compounds)* DrugBank Open Structures (https://www.drugbank.ca/releases/5-1-0/downloads/all-open-structures; version: 5.1.0, released: 2018-04-02; first 7000 compounds)<br><b>Output variants</b><br>| Output variant | Parser additional options || :------------: | :-----------------------: || 1. | - || 2. | `-p` || 3. | `-u` || 4. | `-up` |<br>1. `ChEBI_complete_3star_4000.cypher` and `drugbank_open_structures_7000.cypher` - standard SDF to Cypher,2. `ChEBI_complete_3star_4000-p.cypher` and `drugbank_open_structures_7000-p.cypher` - standard SDF with added additional periodic table data to atoms,3. `ChEBI_complete_3star_4000-u.cypher` and `drugbank_open_structures_7000-u.cypher` - standard SDF with `-u` parser option enabled (try to generate full database URLs instead of IDs),4. `ChEBI_complete_3star_4000-up.cypher` and `drugbank_open_structures_7000-up.cypher` - standard SDF with added additional periodic table data to atoms and `-u` parser option enabled (try to generate full database URLs instead of IDs).

SDF解析器：SDF转Cypher输出

<b>所用数据库</b>
* ChEBI 三星级完整数据集（ChEBI complete 3star）：下载地址为ftp://ftp.ebi.ac.uk/pub/databases/chebi/SDF/ChEBI_complete_3star.sdf.gz，下载时间为2018年5月4日，选取前4000个化合物
* DrugBank 开放结构数据集（DrugBank Open Structures）：下载地址为https://www.drugbank.ca/releases/5-1-0/downloads/all-open-structures，版本号5.1.0，发布于2018年4月2日，选取前7000个化合物

<b>输出变体</b>
| 输出变体 | 解析器附加选项 |
|:-------:|:-------------:|
| 1. | 无 |
| 2. | `-p` |
| 3. | `-u` |
| 4. | `-up` |

1. `ChEBI_complete_3star_4000.cypher`与`drugbank_open_structures_7000.cypher`：标准SDF转Cypher输出；
2. `ChEBI_complete_3star_4000-p.cypher`与`drugbank_open_structures_7000-p.cypher`：在标准SDF转换基础上，为原子添加额外周期表数据；
3. `ChEBI_complete_3star_4000-u.cypher`与`drugbank_open_structures_7000-u.cypher`：启用`-u`解析选项的标准SDF转换（尝试生成完整数据库URL而非标识符）；
4. `ChEBI_complete_3star_4000-up.cypher`与`drugbank_open_structures_7000-up.cypher`：同时启用`-p`参数添加周期表数据与`-u`参数生成完整数据库URL的标准SDF转换。