[ccp4bb] Regarding scoring methods with highly accurate tertiary structure prediction of RNA

2023-03-06 Thread Abhilasha Thakur
Hello everyone!! I am working on tertiary Structure prediction of RNA molecule. I have generated approx 20k structure through the Rosetta denovo method. I didn't get any method for selecting the accurate or near - native structure. Kindly help me out. I have use an ARES tool which is used for

Re: [ccp4bb] Structural alignment and classification

2023-03-06 Thread Karplus, Andy
HI Armando, The “Ensemblator” (available on Github at https://github.com/Karplus-Lab-OSU/ensemblator ) is a program we published back in 2017 that aligns structures and clusters them. Furthermore, the main purpose of the program and what I think is most unique about it, is that given two sets

Re: [ccp4bb] Structural alignment and classification

2023-03-06 Thread Armando Albert
Thank you all. What about the analysis? Does any program cluster the structures according to their structural similarity? Armando > El 6 mar 2023, a las 15:58, Harry Powell > <193323b1e616-dmarc-requ...@jiscmail.ac.uk> escribió: > > Hi Eleanor > > According to > >

Re: [ccp4bb] Structural alignment and classification

2023-03-06 Thread Harry Powell
Hi Eleanor According to https://www.ccp4.ac.uk/html/gesamt.html "Gesamt aligns two or more structures…” and https://www.ccp4.ac.uk/html/superpose.html "superpose aligns and superposes two or more protein structures…” But the real expert is probably Eugene. Harry > On 6

Re: [ccp4bb] Structural alignment and classification

2023-03-06 Thread Eleanor Dodson
Does Superpose or GESAMT align multiple structures? And can either read the NMR format and apply alignment to MODEL 1 ; MODE:L 2 etc? Eleanor On Mon, 6 Mar 2023 at 14:53, Harry Powell < 193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: > Or you could use Gesamt - also in CCP4. > > Harry > >

Re: [ccp4bb] Structural alignment and classification

2023-03-06 Thread Harry Powell
Or you could use Gesamt - also in CCP4. Harry > On 6 Mar 2023, at 13:15, Kay Diederichs > wrote: > > Dear Armando, > > besides THESEUS, you could use SUPERPOSE (in CCP4) or USalign > (https://zhanggroup.org/US-align/). > In my tests, THESEUS sometimes crashed in different ways. USalign is

Re: [ccp4bb] Structural alignment and classification

2023-03-06 Thread Kay Diederichs
Dear Armando, besides THESEUS, you could use SUPERPOSE (in CCP4) or USalign (https://zhanggroup.org/US-align/). In my tests, THESEUS sometimes crashed in different ways. USalign is very robust; SUPERPOSE is fast. HTH, Kay On Mon, 6 Mar 2023 08:35:20 +0100, Armando Albert wrote: >Dear all,