Metabolomics Society Forum

Software => MS-DIAL => Topic started by: QizhiSu on May 12, 2020, 03:52:47 AM

Title: MSFINDER problems
Post by: QizhiSu on May 12, 2020, 03:52:47 AM
Hi everyone,

I am not sure if it is suitable to report MSFINDER problem here, but I do not find MSFINDER specific forum.
1. the latest version MSFINDER 3.40 crashes in my computer (win 10 64 bit), but version 3.32 works fine.
2. in MSFINDER 3.32, even though I uncheck many local databases, the final result still take them into account. for example, I only want to use my own database but not any of those embedded database. does anybody know what is wrong?

best regards
Title: Re: MSFINDER problems
Post by: QizhiSu on May 12, 2020, 06:11:32 AM
I now find out that only when I check "only use when there is no query in local DBs" or "always use it" in the pubchem online setting.
Title: Re: MSFINDER problems
Post by: spapaz on May 13, 2020, 04:20:20 AM
Hi,
I also experienced some crashes of the latest MSFINDER-3.40, usually right after performing structure search.  It is difficult to say what is the problem as often, after it crashed once, I try to re-run it (with the same settings) and I do not experience the crash again.

Stefano
Title: Re: MSFINDER problems
Post by: QizhiSu on May 13, 2020, 03:44:07 PM
Thanks for your answer. I have tried many times. It seems to happen only when I check "only use when there is no query in local DBs" or "always use it" in the pubchem online setting.
Title: Re: MSFINDER problems
Post by: Hiroshi Tsugawa on May 13, 2020, 07:25:28 PM
Hi,

sorry for the delay.
(1) I'm sorry but actually, I uploaded MS-FINDER 3.4 again two days after I uploaded it because of an issue. So if you downloaded it on time (i.e. May 1st), please re-download it, then try it again.

(2) If it does not work yet, please send me your query file. By the latest version, I cannot reproduce your issue, that is, even though I ticked 'only use when there is no query in local db', it works well in my dataset.

Hiroshi
Title: Re: MSFINDER problems
Post by: QizhiSu on May 14, 2020, 04:48:47 AM
Hi,
Many thanks for your answer.
1. I have downloaded the latest version, only selected local databases were for structures search, but the "resources" still contains databases not selected. Is it designed for purposes that all embedded databases are used for formula search and scoring regardless of any selection? I am wondering if it is possible to use only selected databases for formula as well as structure scoring. or maybe it is better to offer us the option, because for research field other than metabolomics, the embedded databases are not that related and other user-defined databases are preferred.

2. The latest version still have the crash problem, that is when i select "always use pubchem". version 3.30 works fine.
Title: Re: MSFINDER problems
Post by: Hiroshi Tsugawa on May 16, 2020, 01:39:49 AM
Thanks all, and today, I uploaded the modified version of msfinder as 3.42.
http://prime.psc.riken.jp/compms/index.html
Thanks for your feedback!

Hiroshi
Title: Re: MSFINDER problems
Post by: QizhiSu on May 16, 2020, 09:02:33 AM
Many thanks