Re: [ccp4bb] 3D modeling program

2008-12-07 Thread Douglas Theobald
- "Dima Klenchin" <[EMAIL PROTECTED]> wrote: > > > But how do we establish phylogeny? - Based on simple similarity! > > > (Structural/morphological in early days and largely on sequence > > > identity today). It's clearly a circular logic: > > > >Hardly. Two sequences can be similar and non-h

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Artem Evdokimov
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Douglas Theobald Sent: Saturday, December 06, 2008 9:12 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] 3D modeling program - "Dima Klenchin" <[EMAIL PROTECTED]> wrote: >>>But how do we establ

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Dima Klenchin
> But how do we establish phylogeny? - Based on simple similarity! > (Structural/morphological in early days and largely on sequence > identity today). It's clearly a circular logic: Hardly. Two sequences can be similar and non-homologous at all levels. Also, two similar proteins can be homologo

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Douglas Theobald
- "Dima Klenchin" <[EMAIL PROTECTED]> wrote: > >Having a generic dictionary definition is nice and dandy. However, in > >the present context, the term 'homology' has a much more specific > >meaning: it pertains to the having (or not) of a common ancestor. > >Thus, it is a binary concept. (*) >

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Douglas Theobald
- "Anastassis Perrakis" <[EMAIL PROTECTED]> wrote: > I think we are getting a bit too philosophical on a matter which is > mainly terminology . > > 1. To quantify how similar two proteins are, one should best refer to > > 'percent identity'. Thats clear, correct and unambiguous. > 2. One

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Douglas Theobald
- "Dima Klenchin" <[EMAIL PROTECTED]> wrote: >>>But how do we establish phylogeny? - Based on simple similarity! This is a common, but erroneous, misconception. Modern phylogenetic methods (Bayesian, maximum likelihood, and some distance-based) rely on explicit models of molecular evolution,

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Dima Klenchin
But how do we establish phylogeny? - Based on simple similarity! ah! the old rhetorical trick of changing the problem or question a posteriori! all i pointed out was that things can't be "25% homologous" Well, you were right that in today's definition things can't be. But you seem to be miss

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Gerard DVD Kleywegt
But how do we establish phylogeny? - Based on simple similarity! ah! the old rhetorical trick of changing the problem or question a posteriori! all i pointed out was that things can't be "25% homologous" (well, i can think of a contrived example in which two four-domain proteins have one homol

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Daniel Rigden
I agree with previous posts that the reality of inferring evolutionary relationships is often messy, but there is no excuse for being unclear on the concepts and, in particular, for use of the % homology construct, still far too common in supposedly good journals. BTW, %identity is clear but not a

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Anastassis Perrakis
I think we are getting a bit too philosophical on a matter which is mainly terminology . 1. To quantify how similar two proteins are, one should best refer to 'percent identity'. Thats clear, correct and unambiguous. 2. One can also refer to "similarity". In that case it should be clari

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Dima Klenchin
Having a generic dictionary definition is nice and dandy. However, in the present context, the term 'homology' has a much more specific meaning: it pertains to the having (or not) of a common ancestor. Thus, it is a binary concept. (*) But how do we establish phylogeny? - Based on simple simil

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Frank von Delft
Any quotes from Mr Vader about his 7th cousin 15 times removed? phx. Gerard DVD Kleywegt wrote: Having a generic dictionary definition is nice and dandy. However, in the present context, the term 'homology' has a much more specific meaning: it pertains to the having (or not) of a common anc

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Gerard DVD Kleywegt
I suspect everyone is refering to Rost's "twilight zone" in sequence similarity where homology modeling trials had better be avoided. If so, the "twilight zone" would rather correspond to any indefinite or transitional condition(s) with no applicable or ever relevant binary constraint(s). actual

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Nadir . Mrabet
I agree with Gerard regarding "homology", but then it becomes significantly more problematic when you deal with "remote homology". Nadir Mrabet -- Pr. Nadir T. Mrabet Cellular & Molecular Biochemistry INSERM U-724 UHP - Nancy 1, School of Medicine 54505 Vandoeuvre-les-Nancy Cedex France Tel : +

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Nadir . Mrabet
I suspect everyone is refering to Rost's "twilight zone" in sequence similarity where homology modeling trials had better be avoided. If so, the "twilight zone" would rather correspond to any indefinite or transitional condition(s) with no applicable or ever relevant binary constraint(s). Nadir Mr

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Gerard DVD Kleywegt
Having a generic dictionary definition is nice and dandy. However, in the present context, the term 'homology' has a much more specific meaning: it pertains to the having (or not) of a common ancestor. Thus, it is a binary concept. (*) A useful paper about homology and percentage sequence iden

Re: [ccp4bb] 3D modeling program

2008-12-05 Thread Dima Klenchin
to models built on low-homology structures. since i'm currently preparing my bioinformatics lectures for next week's teaching, i might as well be a Besserwisser and point out that homology, much like pregnancy and death, is a binary concept. i'm sure artem knows this and simply mistyped "low

Re: [ccp4bb] 3D modeling program

2008-12-05 Thread Artem Evdokimov
al Message- From: Gerard DVD Kleywegt [mailto:[EMAIL PROTECTED] Sent: Friday, December 05, 2008 3:22 PM To: Artem Evdokimov Cc: CCP4 Bulletin Board; Gerard Kleywegt Subject: Re: [ccp4bb] 3D modeling program > to models built on low-homology structures. since i'm currently preparing my bioin

Re: [ccp4bb] 3D modeling program

2008-12-05 Thread Gerard DVD Kleywegt
to models built on low-homology structures. since i'm currently preparing my bioinformatics lectures for next week's teaching, i might as well be a Besserwisser and point out that homology, much like pregnancy and death, is a binary concept. i'm sure artem knows this and simply mistyped "low

Re: [ccp4bb] 3D modeling program

2008-12-05 Thread Artem Evdokimov
ry careful attention must be paid to models built on low-homology structures. Good luck, Artem _ From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of riya doreen Sent: Friday, December 05, 2008 12:01 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] 3D modeling program Hell

[ccp4bb] 3D modeling program

2008-12-05 Thread riya doreen
Hello everyone, I am looking for a modeling program that will allow me to input a sequence alignment and coordinates of a template for 3D structure prediction of a target molecule. I know Modeller can do the job. Are there other web based programs that can do the same ? Thanks