diff --git a/ippisite/db.sqlite3 b/ippisite/db.sqlite3 index 57542b95b741e72c1e7980fb7ecdb36ade6e1767..db5d773a7c69fd5c0d0e7127f3eb1efe378bb8eb 100644 Binary files a/ippisite/db.sqlite3 and b/ippisite/db.sqlite3 differ diff --git a/ippisite/ippidb/admin.py b/ippisite/ippidb/admin.py index dc4f162a8eabad23ea8491c384f210cd84bfc67a..21a59ca38af6ea0bd3206be7d8a17e905f8c38d0 100644 --- a/ippisite/ippidb/admin.py +++ b/ippisite/ippidb/admin.py @@ -20,8 +20,8 @@ class DomainAdmin(admin.ModelAdmin): @admin.register(ProteinDomainBoundComplex) class ProteinDomainBoundComplexAdmin(admin.ModelAdmin): - list_display = ('protein', 'domain', 'ppc_copy_nb', 'ppp_copy_nb_per_p', 'pockets_nb') - list_display_links = ('protein', 'domain', 'ppc_copy_nb', 'ppp_copy_nb_per_p', 'pockets_nb') + list_display = ('protein', 'domain', 'ppc_copy_nb', 'ppp_copy_nb_per_p') + list_display_links = ('protein', 'domain', 'ppc_copy_nb', 'ppp_copy_nb_per_p') @admin.register(ProteinDomainPartnerComplex) class ProteinDomainPartnerComplexAdmin(admin.ModelAdmin): diff --git a/ippisite/ippidb/management/commands/import_v1_data.py b/ippisite/ippidb/management/commands/import_v1_data.py index cf14e8eb313f88445a6dcdb230b10b8943c17ec9..f5419e9bc6c182f2262b7447d36e855de388c538 100644 --- a/ippisite/ippidb/management/commands/import_v1_data.py +++ b/ippisite/ippidb/management/commands/import_v1_data.py @@ -223,7 +223,12 @@ select distinct protein.NumUniprot, domain.PfamNumAccession , complexe.NbCopy, compound.is_macrocycle = (row[4]=='Y') compound.aromatic_ratio = row[5] compound.balaban_index = row[6] - compound.balaban_index = row[6] + compound.fsp3 = row[7] #Csp3Ratio + compound.gc_molar_refractivity=row[10] #GCMolarRefractivity + compound.log_d = row[13] #LogD + compound.a_log_p = row[14] #ALogP + compound.mean_atom_vol_vdw = row[15] #MeanAtomVolVdW + compound.molecular_weight = row[16] compound.save() except Exception as e: if options['stoponfail']: diff --git a/ippisite/ippidb/migrations/0014_auto_20170519_1243.py b/ippisite/ippidb/migrations/0014_auto_20170519_1243.py new file mode 100644 index 0000000000000000000000000000000000000000..3aef4f320ee659e960a6df1b4ea503dbabb02eb3 --- /dev/null +++ b/ippisite/ippidb/migrations/0014_auto_20170519_1243.py @@ -0,0 +1,24 @@ +# -*- coding: utf-8 -*- +# Generated by Django 1.11.1 on 2017-05-19 12:43 +from __future__ import unicode_literals + +from django.db import migrations, models + + +class Migration(migrations.Migration): + + dependencies = [ + ('ippidb', '0013_auto_20170518_1943'), + ] + + operations = [ + migrations.RemoveField( + model_name='proteindomainboundcomplex', + name='pockets_nb', + ), + migrations.AddField( + model_name='ppi', + name='pockets_nb', + field=models.IntegerField(default=1, verbose_name='Total number of pockets in the complex'), + ), + ]