sqlite3 PM_617794.db
DROP TABLE IF EXISTS pdbs;
CREATE TABLE pdbs(
PdbId TEXT,
MetalAtm TEXT,
MetalName TEXT,
MetalNumber INTEGER,
MetalChn TEXT,
AtmName TEXT,
ResName TEXT,
ResNumber INTEGER,
ResChn TEXT,
Distance NUMERIC
);
INSERT INTO pdbs VALUES('1nc7','MG','MG',1501,'-','CL','CL',1401,'-',3.065);
INSERT INTO pdbs VALUES('1nc7','MG','MG',1501,'-','CL','CL',1402,'-',2.660);
INSERT INTO pdbs VALUES('1pex','CA','CA', 503,'-','CL','CL', 501,'-',2.895);
INSERT INTO pdbs VALUES('1qhu','NA','NA', 3,'-','CL','CL', 1,'-',3.096);
INSERT INTO pdbs VALUES('1qjs','NA','NA', 513,'A','CL','CL', 511,'A',3.096);
INSERT INTO pdbs VALUES('1rtg','CA','CA', 2,'-','CL','CL', 1,'-',3.079);
INSERT INTO pdbs VALUES('1xj6','NA','NA',5002,'-','CL','CL',5001,'-',2.628);
INSERT INTO pdbs VALUES('2caj','NI','NI',1151,'B','CL','CL',1150,'B',3.551);
INSERT INTO pdbs VALUES('2oa9','CD','CD', 911,'-','CL','CL', 800,'-',2.291);
INSERT INTO pdbs VALUES('2oa9','CD','CD', 913,'-','CL','CL', 801,'-',2.403);
.mode column pdbs
.width 4 2 2 4 1 2 2 4 1 5
####
SELECT *, COUNT(PdbId) as c
FROM pdbs
GROUP BY PdbId
HAVING c >= 2
;
####
1nc7 MG MG 1501 - CL CL 1402 - 2.66 2
2oa9 CD CD 913 - CL CL 801 - 2.403 2
####
SELECT pdbs.*
FROM pdbs JOIN (
SELECT PdbId, ResName, COUNT(*) as c
FROM pdbs
GROUP BY PdbId, ResName
HAVING c >= 2
) AS counter
ON pdbs.PdbId = counter.PdbId
AND pdbs.ResName = counter.ResName
WHERE pdbs.ResName = 'CL'
;
####
1nc7 MG MG 1501 - CL CL 1401 - 3.065
1nc7 MG MG 1501 - CL CL 1402 - 2.66
2oa9 CD CD 911 - CL CL 800 - 2.291
2oa9 CD CD 913 - CL CL 801 - 2.403