Show I be using beta_nov16 scorefxn?

[Anonymous]

ref2015 is the default at least in pyrosetta and is beta_july15 without the need for the boolean option `correction:beta_july15` to be set.

In the cartesian ddG paper, Park et al. 2016, beta_nov16 is made, which has several difference (below, code used here).

However, in the documentation for cartesian ddG talaris2014 is used, which is well odd. Is this just playing it safe for casual users and actually anyone using pyrosetta or scripts ought be using beta_nov16 over ref2015 for FastRelax & other movers (be they in dihedralor cartesian)?

Also, in ref2015 1 REU is 1 kcal/mol, is this true for ref2015_cart, beta_nov16 and beta_nov16_cart and franklin2019?

| name                 | ref2015  | ref2015_cart | beta_nov16 | beta_nov16_cart |

|:

|:

|:

|:

|:

|

| fa_atr               | 1.0      | 1.0          | 1.0        | 1.0             |

| fa_rep               | 0.55     | 0.55         | 0.55       | 0.55            |

| fa_sol               | 1.0      | 1.0          | 1.0        | 1.0             |

| fa_intra_rep         | 0.005    | 0.005        | 0.0        | 0.0             |

| fa_intra_sol_xover4  | 1.0      | 1.0          | 1.0        | 1.0             |

| lk_ball_wtd          | 1.0      | 1.0          | 0.0        | 0.0             |

| fa_elec              | 1.0      | 1.0          | 1.0        | 1.0             |

| pro_close            | 1.25     | 0.0          | 1.25       | 0.0             |

| hbond_sr_bb          | 1.0      | 1.0          | 1.0        | 1.0             |

| hbond_lr_bb          | 1.0      | 1.0          | 1.0        | 1.0             |

| hbond_bb_sc          | 1.0      | 1.0          | 1.0        | 1.0             |

| hbond_sc             | 1.0      | 1.0          | 1.0        | 1.0             |

| dslf_fa13            | 1.25     | 1.25         | 1.25       | 1.25            |

| omega                | 0.4      | 0.4          | 0.48       | 0.48            |

| fa_dun               | 0.7      | 0.7          | 0.0        | 0.0             |

| p_aa_pp              | 0.6      | 0.6          | 0.61       | 0.61            |

| yhh_planarity        | 0.625    | 0.625        | 0.0        | 0.0             |

| ref                  | 1.0      | 1.0          | 1.0        | 1.0             |

| rama_prepro          | 0.45     | 0.45         | 0.5        | 0.5             |

| ref_ALA              | 1.32468  | 1.32468      | 2.3386     | 2.3386          |

| ref_ARG              | -0.09474 | -0.09474     | -1.281     | -1.281          |

| ref_ASN              | -1.34026 | -1.34026     | -0.873554  | -0.873554       |

| ref_ASP              | -2.14574 | -2.14574     | -2.2837    | -2.2837         |

| ref_CYS              | 3.25479  | 3.25479      | 3.2718     | 3.2718          |

| ref_GLN              | -1.45095 | -1.45095     | -1.0644    | -1.0644         |

| ref_GLU              | -2.72453 | -2.72453     | -2.5358    | -2.5358         |

| ref_GLY              | 0.79816  | 0.79816      | 1.2108     | 1.2108          |

| ref_HIS              | -0.30065 | -0.30065     | 0.134426   | 0.134426        |

| ref_ILE              | 2.30374  | 2.30374      | 1.0317     | 1.0317          |

| ref_LEU              | 1.66147  | 1.66147      | 0.729516   | 0.729516        |

| ref_LYS              | -0.71458 | -0.71458     | -1.6738    | -1.6738         |

| ref_MET              | 1.65735  | 1.65735      | 1.2334     | 1.2334          |

| ref_PHE              | 1.21829  | 1.21829      | 1.4028     | 1.4028          |

| ref_PRO              | -1.64321 | -1.64321     | -5.1227    | -5.1227         |

| ref_SER              | -0.28969 | -0.28969     | -1.1772    | -1.1772         |

| ref_THR              | 1.15175  | 1.15175      | -1.425     | -1.425          |

| ref_TRP              | 2.26099  | 2.26099      | 3.035      | 3.035           |

| ref_TYR              | 0.58223  | 0.58223      | 0.964136   | 0.964136        |

| ref_VAL              | 2.64269  | 2.64269      | 2.085      | 2.085           |

| cart_bonded          | 0.0      | 0.5          | 0.0        | 0.5             |

| fa_intra_atr_xover4  | 0.0      | 0.0          | 1.0        | 1.0             |

| fa_intra_rep_xover4  | 0.0      | 0.0          | 0.55       | 0.55            |

| lk_ball              | 0.0      | 0.0          | 0.92       | 0.92            |

| lk_ball_iso          | 0.0      | 0.0          | -0.38      | -0.38           |

| lk_ball_bridge       | 0.0      | 0.0          | -0.33      | -0.33           |

| lk_ball_bridge_uncpl | 0.0      | 0.0          | -0.33      | -0.33           |

| fa_intra_elec        | 0.0      | 0.0          | 1.0        | 1.0             |

| fa_dun_dev           | 0.0      | 0.0          | 0.69       | 0.69            |

| fa_dun_rot           | 0.0      | 0.0          | 0.76       | 0.76            |

| fa_dun_semi          | 0.0      | 0.0          | 0.78       | 0.78            |

| hxl_tors             | 0.0      | 0.0          | 1.0        | 1.0             |

 

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