Issue88

Title [pNovo] Uncertain about the meaning of the lowercase letter a in pNovo3.1.3
Priority question Status finished
Superseder Nosy List jinyangl, zhangyuanliang
Assigned To Keywords pNovo

Created on 2022-07-08.17:24:07 by zhangyuanliang, last changed by jinyangl.

Messages
msg355 (view) Author: jinyangl Date: 2023-07-11.21:07:00
Hi,
You can refer to the pNovo.param file. In the bottom there should be lines like: 
a=147.035405 Oxidation[M], which indicates the meaning of lowercase letters.
msg247 (view) Author: zhangyuanliang Date: 2022-07-08.17:24:07
P1	AQQHHCaPM	16.558797	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.398827	0.092111	
0.905405
P2	AQQHHaCPM	16.550683	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.399194	0.079722	
0.905405
P3	AQQHHCaMP	15.621748	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.346408	0.071096	
0.905405
P4	QAQHHCCGPM	15.496277	1.000000	-0.472251	2	
4.592028	1.764976	0.000000	0.000000	0.000000	
0.574612	2.513003	0	8.951758	0.398456	0.064108	
0.411765
P5	QAQHHCaPM	15.465680	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.371701	0.067297	
0.411765
P6	AQQHHaCMP	15.368664	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.331012	0.084968	
0.905405
P7	QAQHHaCPM	15.363154	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.366202	0.061111	
0.411765
P8	QAQHHCCGMP	15.182515	1.000000	-0.472251	2	
4.592028	1.764976	0.000000	0.000000	0.000000	
0.574612	2.513003	0	8.951758	0.380438	0.064213	
0.411765
P9	QAQHHaCMP	14.557890	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.319648	0.066357	
0.411765
P10	QAQHHCaMP	14.344446	1.000000	-0.468589	7	
4.917136	1.813669	0.000000	0.000000	0.000000	
0.574612	2.513003	0	9.435694	0.308651	0.046282	
0.411765
History
Date User Action Args
2023-07-11 21:07:02jinyanglsettitle: Uncertain about the meaning of the lowercase letter a in pNovo3.1.3 -> [pNovo] Uncertain about the meaning of the lowercase letter a in pNovo3.1.3
messages: + msg355
nosy: + jinyangl
2022-07-11 10:33:32kfwangsetstatus: unread -> finished
2022-07-08 17:24:08zhangyuanliangcreate