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Full Discussion: sort script
Top Forums Shell Programming and Scripting sort script Post 302713507 by LMHmedchem on Wednesday 10th of October 2012 10:46:49 PM
Old 10-10-2012
Below is a sample of a file I just sorted in excel. It's tab delimited text and has unix EOL if that matters.

This was sorted as follows,
Cpyridne_N
Cphenol_O
fusering
nasC

all sorted in ascending order and all of these are ints. I think that I could use the sort arguments if I had the column numbers, but it would be nice to investigate what the possibilities are. Most of the scripts I start out with require some manual editing until I figure out exactly how I want to use them and get them refined. I am doing this in windows under cygwin in case that makes a difference.

LMHmedchem

Code:
id	IUPACNAME	filePath	IDNUMBER	PG	K-MWT	K-EST	K-CHI	K-KAP	RI3_1	ring	fusering	branch	arom	nasN	nasO	nasP	nasS	fw	nasH	nasC	nasNBIO	nasHet	nasProt	CddsN	CtN	nrings	ncirc	nbranch	CaromC	npc4	nch3	nch4	nch5	nch6	nch7	nch8	nch9	nch10	Calph_N	Calph_NH	Caniline_N	Caniline_H	Cpyridne_N	Cpyrrole_N	Cpyrrole_H	Camide_H	Camide_N	Camide_O	Cprot_N	Calph_O	Calph_OH	Cacid_dO	Cacid_sO	Cacid_H	Cphenol_O	Calph_S	Carom_S	Cacid_CH	Csp3OH	Csp2OH	CKetone	CAldhyd	CFormate	CEster	CAnhyde	CaaO	CEther	COxirane	COxetane	CNoxide	CPNoxide	COxime	CCar	CCarbam	CCarbacd	CGuano	CBenzam	CsSH	CssS	CdS	CdssS	CddssS	CSul	CdCH2	CtCH
1	pyridin-4-ol	ST044793.mol	ST044793	5	9510	13785	4522	1003	164.26	1	0	1	1	1	1	0	0	95.1006	5	5	0	2	1	0	0	1	1	1	5	2	0	0	0	1	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2	2,8-dimethylquinolin-4-ol	ST4140189.mol	ST4140189	8	17321	18077	11694	1673	298.65	1	1	1	1	1	1	0	0	173.214	11	11	0	2	1	0	0	2	3	5	9	18	0	0	0	2	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
3	2,6-dimethylquinolin-4-ol	ST090591.mol	ST090591	5	17321	18078	11636	1688	298.637	1	1	1	1	1	1	0	0	173.214	11	11	0	2	1	0	0	2	3	5	9	16	0	0	0	2	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
4	2,7,8-trimethylquinolin-4-ol	ST090619.mol	ST090619	5	18724	18527	12992	1827	313.572	1	1	1	1	1	1	0	0	187.241	13	12	0	2	1	0	0	2	3	6	9	22	0	0	0	2	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5	8-ethyl-2-methylquinolin-4-ol	ST085252.mol	ST085252	5	18724	18732	12630	1900	311.272	1	1	1	1	1	1	0	0	187.241	13	12	0	2	1	0	0	2	3	5	9	19	0	0	0	2	0	0	0	1	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
6	4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)phenol	ST075331.mol	ST075331	5	33944	31160	34829	3237	469.926	1	1	1	1	1	1	0	0	339.436	21	24	0	2	1	0	0	5	11	10	19	42	0	0	0	5	0	0	0	3	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
7	4-[6-(4-hydroxyphenyl)-2-pyridyl]phenol	HTS12699.mol	HTS12699	5	26330	30423	18308	2886	330.105	1	0	1	1	1	2	0	0	263.295	13	17	0	3	1	0	0	3	3	6	17	20	0	0	0	3	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
8	4-(10-methyl-8,9,10,11-tetrahydrobenzo[a]acridin-12-yl)benzene-1,3-diol	ST4068500.mol	ST4068500	8	35544	37593	36522	3385	394.257	1	1	1	1	1	2	0	0	355.435	21	24	0	3	1	0	0	5	11	11	19	46	0	0	0	5	0	0	0	3	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
9	pyrimidin-2-ol	ST075441.mol	ST075441	5	9609	15301	4651	998	133.621	1	0	1	1	2	1	0	0	96.0884	4	4	0	3	2	0	0	1	1	1	4	2	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
10	4-methylpyrimidin-2-ol	ST067104.mol	ST067104	5	11012	15676	5587	1166	190.913	1	0	1	1	2	1	0	0	110.115	6	5	0	3	2	0	0	1	1	2	4	4	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
11	6-methyl-2-(methylethyl)pyrimidin-4-ol	ST059600.mol	ST059600	5	15220	17380	8313	1738	245.562	1	0	1	1	2	1	0	0	152.196	12	8	0	3	2	0	0	1	1	4	4	10	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
12	4-(3-methylphenyl)pyrimidin-2-ol	ST45073613.mol	ST45073613	8	18621	20654	11588	2019	274.464	1	0	1	1	2	1	0	0	186.213	10	11	0	3	2	0	0	2	2	4	10	12	0	0	0	2	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
13	5,6-diphenylpyrazin-2-ol	ST039025.mol	ST039025	5	24828	25454	17493	2700	316.406	1	0	1	1	2	1	0	0	248.284	12	16	0	3	2	0	0	3	3	5	16	20	0	0	0	3	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
14	2-(4,6-diphenylpyrimidin-2-yl)phenol	ST029297.mol	ST029297	5	32438	31182	25225	3569	391.401	1	0	1	1	2	1	0	0	324.381	16	22	0	3	2	0	0	4	4	7	22	28	0	0	0	4	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
15	2-(2,6-diphenylpyrimidin-4-yl)phenol	ST029295.mol	ST029295	5	32438	31239	25221	3569	390.866	1	0	1	1	2	1	0	0	324.381	16	22	0	3	2	0	0	4	4	7	22	28	0	0	0	4	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
16	4-quinoxalin-2-ylphenol	ST058726.mol	ST058726	5	22225	24069	16171	2241	292.885	1	1	1	1	2	1	0	0	222.246	10	14	0	3	2	0	0	3	4	5	14	18	0	0	0	3	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
17	3-(1-phenylpyridino[3,2-f]quinolin-3-yl)phenol	ST090881.mol	ST090881	5	34840	34402	33217	3494	428.414	1	1	1	1	2	1	0	0	348.403	16	24	0	3	2	0	0	5	8	9	24	38	0	0	0	5	0	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
18	6-(4-ethylphenyl)benzo[a]phenazin-5-ol	HTS02737.mol	HTS02737	5	35042	34250	36169	3408	398.524	1	1	1	1	2	1	0	0	350.419	18	24	0	3	2	0	0	5	11	10	22	45	0	0	0	5	0	0	0	3	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
19	pyrimidine-2,4-diol	ST45061548.mol	ST45061548	8	11209	21655	5646	1164	113.724	1	0	1	1	2	2	0	0	112.088	4	4	0	4	2	0	0	1	1	2	4	4	0	0	0	1	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
20	quinoxaline-2,3-diol	ST003022.mol	ST003022	5	16215	25248	10508	1518	208.677	1	1	1	1	2	2	0	0	162.148	6	8	0	4	2	0	0	2	3	4	8	14	0	0	0	2	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
21	5,6-dimethylquinoxaline-2,3-diol	HTS06808.mol	HTS06808	5	19020	26134	13025	1821	260.958	1	1	1	1	2	2	0	0	190.201	10	10	0	4	2	0	0	2	3	6	8	22	0	0	0	2	0	0	0	1	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
22	pyridino[3,2-h]quinoline-4,7-diol	HTS08910.mol	HTS08910	5	21221	29008	16776	1918	242.061	1	1	1	1	2	2	0	0	212.207	8	12	0	4	2	0	0	3	6	6	12	26	0	0	0	3	0	0	0	2	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
23	5,8-dimethylquinolino[3,2-c]acridine-6,7-diol	ST059734.mol	ST059734	5	34038	38753	38389	3061	348.484	1	1	1	1	2	2	0	0	340.381	16	22	0	4	2	0	0	5	15	12	20	56	0	0	0	5	0	0	0	4	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
24	4-pyridino[4,3-e]pyrazin-3-ylphenol	ST058761.mol	ST058761	5	22323	25841	16236	2237	260.974	1	1	1	1	3	1	0	0	223.234	9	13	0	4	3	0	0	3	4	5	13	18	0	0	0	3	0	0	0	1	0	0	0	0	3	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
25	pyrazino[2,3-d]pyridazine-5,8-diol	ST091682.mol	ST091682	5	16412	28414	10823	1497	176.671	1	1	1	1	4	2	0	0	164.123	4	6	0	6	4	0	0	2	3	4	6	16	0	0	0	2	0	0	0	1	0	0	0	0	4	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0

 

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