Molecules
Molecule(Conformers)
conformer
conformer
...
Molecule
Molecule
...
http://api.ppbank.snquantum.com/Molecules
http://api.ppbank.snquantum.com/Molecule
http://api.ppbank.snquantum.com/Conformers
http://api.ppbank.snquantum.com/Conformer
提供标准的 http 的 GET, POST, PUT, DELETE 进行 CRUD 操作。
以及 Application 和 Settings 等具体的自动生成的文档在 http://api.ppbank.snquantum.com/docs 查看
而 api
http://api.ppbank.snquantum.com/put_conformers
http://api.ppbank.snquantum.com/get_conformers
http://api.ppbank.snquantum.com/del_conformers
提供构文件夹形式的的查找读写并转换到提供命令行操作
Molecules:
mole_name = models.TextField()
residue_num = models.IntegerField(default=0)
seq = models.TextField()
modification = models.TextField()
docx_description = models.TextField()
detailed_description = models.TextField()
simple_description = models.TextField()
showxyz = models.TextField()
img = models.TextField()
Conformers
mole_name = models.TextField()
residue_num = models.IntegerField(default=0)
seq = models.IntegerField(default=0)
modification= models.TextField()
conf_name = models.TextField()
xyz = models.TextField()
dih = models.TextField()
dih_pattern = models.TextField()
energy = models.FloatField(default=INF)
free_energy = models.FloatField(default=INF)